SCHEMBL1126414

SCHEMBL1126414

O=C(O)CNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.54
GLA P06280 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PTPRF P10586 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN11 Q06124 1/20 0.53
HPGD P15428 2/20 0.52
ALOX12 P18054 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
HSP90AA1 P07900 1/20 0.51
ESR1 P03372 1/20 0.50
CYP19A1 P11511 1/20 0.50

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
SCHEMBL28122216 0.98 MAPT (0.58) MAPTMEN1KMT2AALDH1A1GLA
Urea SCHEMBL28444611 0.95 MAPT (0.54) MAPTMEN1KMT2AALDH1A1GLA
SCHEMBL9543117 0.87 MAPT (0.52) MAPTMEN1KMT2AALDH1A1GLA
SCHEMBL3989574 0.84 ESR1 (0.67) MAPTMEN1KMT2AALDH1A1GLA
SCHEMBL28935012 0.84 MAPT (0.62) MAPTMEN1KMT2AALDH1A1GLA
SCHEMBL16306796 0.82 MAPT (0.66) MAPTMEN1KMT2AALDH1A1GLA
SCHEMBL6259751 0.82 ALDH1A1 (0.59) MAPTMEN1KMT2AALDH1A1GLA
SCHEMBL5692310 0.82 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7326754 0.81 ALOX5 (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1258976 0.81 MAPT (0.59) MAPTMEN1KMT2AALDH1A1GLA

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 124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118079030-A Drug-loaded polymer nano micelle and preparation method and application thereof 郑州大学 2024-05-28 CN claimed
CN-104163765-A New method for reactive extraction of 4-nitro-phenylglycine HUNAN INST SCIENCE & TECH 2014-11-26 CN claimed
CN-118079030-A Drug-loaded polymer nano micelle and preparation method and application thereof 郑州大学 2024-05-28 CN disclosed
CN-106380415-B A kind of preparation method of D, L- phenylglycine and the like 宁夏紫光天化蛋氨酸有限责任公司 2019-01-22 CN disclosed
US-9850287-B2 Means and methods for breaking noncovalent binding interactions between molecules HET NEDERLANDS KANKER INSTITUUT (NL) 2017-12-26 US disclosed
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
US-20170145060-A9 MEANS AND METHODS FOR BREAKING NONCOVALENT BINDING INTERACTIONS BETWEEN MOLECULES HET NEDERLANDS KANKER INSTITUUT (NL) 2017-05-25 US disclosed
CN-106380415-A Preparation method for D, L-phenylglycine and analogue thereof 宁夏紫光天化蛋氨酸有限责任公司 2017-02-08 CN disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-4343802-A ADRENERGIC BLOCKING, ANTIARRYHYTHMIA, AND CARDIOTONIC AGENTS MERCK, SHARP & DOHME (I.A.) CORP. (US) 1982-08-10 US disclosed
US-4193995-A B-ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORP. (US) 1980-03-18 US disclosed
US-4116949-A WATER-SOLUBLE, PHYSIOLOGICALLY ACTIVE, SYNTHETIC COPOLYPEPTIDES THE REAGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1978-09-26 US disclosed
US-4086341-A NITRO SUBSTITUTED; ANTIBIOTIC BAYER AKTIENGESELLSCHAFT (DT) 1978-04-25 US disclosed
US-4042586-A ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1977-08-16 US disclosed
US-4029806-A Nitro-β-lactam antibiotics and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1977-06-14 US disclosed
US-4012518-A PENICILLIN DERIVATIVES AS GROWTH AND FEED UTILIZATION PROMOTERS IN ANIMALS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-15 US disclosed
US-3946009-A ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1976-03-23 US disclosed
US-3930792-A NITROAMINOBENZENE, QUATERNARY AMINE, N-OXYALKYLATED FATTY ACID AMIDES CLAIROL INCORPORATED (US) 1976-01-06 US disclosed