SCHEMBL5712846

SCHEMBL5712846

CC(I)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.52
▸ ACHE P22303 1/20 0.52
▸ MAPT P10636 6/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PHLPP2 Q6ZVD8 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ALDH1A1 P00352 7/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ GAA P10253 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CES1 P23141 1/20 0.43
▸ HPGD P15428 1/20 0.42

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
SCHEMBL11431941 0.82 ALDH1A1 (0.52) HSD17B10ACHEMAPTMAPK1L3MBTL1
SCHEMBL254528 0.82 ALDH1A1 (0.56) HSD17B10ACHEMAPTMAPK1L3MBTL1
SCHEMBL7195325 0.80 HSD17B10 (0.54) HSD17B10ACHEMAPTMAPK1L3MBTL1
SCHEMBL11695567 0.80 HSD17B10 (0.54) HSD17B10ACHEMAPTMAPK1L3MBTL1
SCHEMBL27855209 0.79 HSD17B10 (0.64) HSD17B10ACHEMAPTMAPK1L3MBTL1
SCHEMBL7491094 0.78 MAPT (0.56) HSD17B10ACHEMAPTMAPK1L3MBTL1
SCHEMBL678482 0.78 HSD17B10 (0.52) HSD17B10ACHEMAPTMAPK1L3MBTL1
SCHEMBL3917351 0.78 ALDH1A1 (0.59) HSD17B10ACHEMAPTMAPK1L3MBTL1
SCHEMBL18399542 0.78 HSD17B10 (0.52) HSD17B10ACHEMAPTMAPK1L3MBTL1
SCHEMBL1317230 0.78 ALDH1A1 (0.59) HSD17B10ACHEMAPTMAPK1L3MBTL1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 — — CN disclosed
EP-1671973-A2 Allosteric adenosine receptor modulators King Pharmaceuticals Research and Development, Inc. (US) 2006-06-21 — — EP disclosed
EP-1025106-B1 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-06-21 — — EP disclosed
US-6323214-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS AND ANALGESICS MEDCO RESEARCH, INC 2001-11-27 — — US disclosed
US-6194449-B1 ADMINISTERING A BENZOYLTHIOPHENE COMPOUND; ANTIHYPOXIC, ANTIISCHEMIC AGENTS MEDCO CORP. 2001-02-27 — — US disclosed
US-6177444-B1 ANTIISCHEMIC AGENTS; ANTIARRHYTHMIA AGENTS MEDCO CORP. 2001-01-23 — — US disclosed
EP-1025106-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS Medco Research, Inc. (US) 2000-08-09 — — EP disclosed
EP-0641785-B1 TRIAZOLYLATED TERTIARY AMINE COMPOUND OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 1999-10-27 — — EP disclosed
US-5939432-A Thiophenes useful for modulating the adenosine receptor MEDCO RESEARCH, INC. (US) 1999-08-17 — — US disclosed
WO-1999021617-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-05-06 — — WO disclosed
EP-0640595-B1 SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 1999-03-24 — — EP disclosed
US-5674886-A AROMATASE INHIBITOR; BREAST CANCER; UROGENITAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-07 — — US disclosed
US-5538976-A ANTICARCINOGENIC AGENTS AND ENZYME INHIBITORS FOR AROMATASE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 — — US disclosed
EP-0641785-A1 TRIAZOLYLATED TERTIARY AMINE COMPOUND OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-08 — — EP disclosed
EP-0640595-A1 NOVEL SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-01 — — EP disclosed
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