SCHEMBL5757260

SCHEMBL5757260

[NH]Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
TSHR P16473 1/20 0.64
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ACHE P22303 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH3A1 P30838 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3202573 0.84 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL301933 0.82 ALDH1A1 (0.69) ALDH1A1TSHRHPGDHTTHSD17B10
Hydrochloric Acid SCHEMBL27731300 0.81 ALDH1A1 (0.68) ALDH1A1TSHRHPGDHTTHSD17B10
Hydrochloric Acid SCHEMBL28474586 0.81 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
Hydrochloric Acid SCHEMBL117725 0.81 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
Ammonia Solution, Strong SCHEMBL10338964 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL29437308 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL1150551 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL124981 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTHSD17B10
Hydrochloric Acid SCHEMBL3652038 0.79 ALDH1A1 (0.60) ALDH1A1TSHRHPGDHTTHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102782580-B Pattern forming method NIPPON KOGAKU KK 2015-04-22 CN claimed
US-6727252-B1 THE SERINE/THREONINE KINASE FAMILY INCLUDES MEMBERS THAT REGULATE CELL GROWTH, MIGRATION, DIFFERENTIATION, GENE EXPRESSION, MUSCLE CONTRACTION, GLUCOSE METABOLISM, CELLULAR PROTEIN SYNTHESIS, AND REGULATION OF THE CELL CYCLE ZENTARIS AG (DE) 2004-04-27 US claimed
US-6180631-B1 PREVENTING AND TREATING SERINE/THREONINE PROTEIN KINASE-RELATED ABNORMAL CONDITIONS IN MAMMALS ASSOCIATED WITH AN ABERRATION IN A SIGNAL TRANSDUCTION PATHWAY SUCH AS CANCER OR A FIBROTIC DISORDER ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-01-30 US claimed
US-5332811-A Antitumor intermediates THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1994-07-26 US claimed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US claimed
CN-102782580-B Pattern forming method NIPPON KOGAKU KK 2015-04-22 CN disclosed
EP-1028729-B1 METHODS OF MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION WITH 5-AZAQUINOXALINE-BASED COMPOUNDS ZENTARIS GMBH (DE) 2006-08-16 EP disclosed
US-6727252-B1 THE SERINE/THREONINE KINASE FAMILY INCLUDES MEMBERS THAT REGULATE CELL GROWTH, MIGRATION, DIFFERENTIATION, GENE EXPRESSION, MUSCLE CONTRACTION, GLUCOSE METABOLISM, CELLULAR PROTEIN SYNTHESIS, AND REGULATION OF THE CELL CYCLE ZENTARIS AG (DE) 2004-04-27 US disclosed
US-6180631-B1 PREVENTING AND TREATING SERINE/THREONINE PROTEIN KINASE-RELATED ABNORMAL CONDITIONS IN MAMMALS ASSOCIATED WITH AN ABERRATION IN A SIGNAL TRANSDUCTION PATHWAY SUCH AS CANCER OR A FIBROTIC DISORDER ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-01-30 US disclosed
EP-1028729-A2 METHODS OF MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION WITH 5-AZAQUINOXALINE-BASED COMPOUNDS ASTA Medica Aktiengesellschaft (DE) 2000-08-23 EP disclosed
WO-1999017759-A2 METHODS OF MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION WITH 5-AZAQUINOXALINE-BASED COMPOUNDS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-04-15 WO disclosed
WO-1996040675-A1 THIENYL COMPOUNDS FOR INHIBITION OF CELL PROLIFERATIVE DISORDERS SUGEN, INC. (US) 1996-12-19 WO disclosed
EP-0341694-B1 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KK (JP) 1995-09-06 EP disclosed
US-5332811-A Antitumor intermediates THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1994-07-26 US disclosed
US-5166341-A Selective antagonist of serotonin 3(5-HT3) receptor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-24 US disclosed
US-5017573-A Serotonin receptor antagonist DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US disclosed
EP-0358903-A2 Indazole-3-carboxylic acid derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1990-03-21 EP disclosed
EP-0341694-A2 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1989-11-15 EP disclosed