SCHEMBL801243

SCHEMBL801243

Cc1ccnc(O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 3/20 0.44
HPGD P15428 1/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CTSB P07858 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.36
S100A4 P26447 1/20 0.36
GPR35 Q9HC97 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL27417077 0.93 ALDH1A1 (0.44) ALDH1A1TDP1TSHRHPGDMEN1
SCHEMBL28076682 0.90 ALDH1A1 (0.42) ALDH1A1TDP1TSHRHPGDMEN1
Trifluoromethanesulfonic Acid SCHEMBL7749018 0.86 ALDH1A1 (0.39) ALDH1A1TDP1TSHRHPGDMEN1
Trifluoromethanesulfonic Acid SCHEMBL7749026 0.86 ALDH1A1 (0.39) ALDH1A1TDP1TSHRHPGDMEN1
SCHEMBL31571463 0.80 GPR35 (0.47) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL1191637 0.80 GPR35 (0.47) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL843559 0.80 ALDH1A1 (0.54) ALDH1A1TDP1TSHRHPGDMEN1
SCHEMBL30197316 0.80 ALDH1A1 (0.54) ALDH1A1TDP1TSHRHPGDMEN1
Ammonia Solution, Strong SCHEMBL27851817 0.78 ALDH1A1 (0.52) ALDH1A1TDP1TSHRHPGDMEN1
SCHEMBL18226430 0.78 ALDH1A1 (0.47) ALDH1A1TDP1TSHRHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115895349-B Release film coating with high adsorption force and preparation method thereof 深圳市睿华涂布科技有限公司 2023-08-29 CN claimed
CN-116606243-A Novel process for safely and efficiently synthesizing nevirapine intermediate 中科苏州药物研究院 2023-08-18 CN claimed
CN-115895349-A Release film coating with high adsorption capacity and preparation method thereof 深圳市睿华涂布科技有限公司 2023-04-04 CN claimed
CN-102952068-A Synthesis method for Nevirapine intermediates SHANGHAI SIXIE CHEMICAL TECHNOLOGY CO LTD 2013-03-06 CN claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
CN-119742448-A High-voltage additive for lithium battery electrolyte, electrolyte and lithium ion battery 中国科学院宁波材料技术与工程研究所 2025-04-01 CN disclosed
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
CN-118851996-A Synthesis method and application of 2-chloro-3-amino-4-methylpyridine 苏州奥普拓新材料有限公司 2024-10-29 CN disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
CN-116675640-A Preparation method of nevirapine intermediate 2- (cyclopropylamino) nicotinic acid 中科苏州药物研究院 2023-09-01 CN disclosed
CN-115895349-B Release film coating with high adsorption force and preparation method thereof 深圳市睿华涂布科技有限公司 2023-08-29 CN disclosed
US-5620974-A ENZYME INHIBITOR, TREATS ACQUIRED IMMUNE DEFICIENCY SYNDROME(AIDS) BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-04-15 US disclosed
US-5596001-A 4-aryl-3-(heteroarylureido)quinoline derivatves PFIZER INC. (US) 1997-01-21 US disclosed
US-5366972-A 5,11-dihydro-6H-dipyrido(3,2-B:2',3'-E)(1,4)diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1994-11-22 US disclosed
EP-0590094-A1 4-ARYL-3-(HETEROARYLUREIDO)QUINOLINE DERIVATIVES PFIZER INC. (US) 1994-04-06 EP disclosed
WO-1992019614-A1 4-ARYL-3-(HETEROARYLUREIDO)QUINOLINE DERIVATIVES PFIZER INC. (US) 1992-11-12 WO disclosed
CN-1066068-A 4-aryl-3-(fragrant heterocyclic radical urea groups) quinoline derivatives PFIZER (US) 1992-11-11 CN disclosed
EP-0429987-A2 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-06-05 EP disclosed