SCHEMBL7827258

SCHEMBL7827258

COc1ccc(Cn2nnc(C(=O)c3ccc(C)cc3[N+](=O)[O-])c2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
AKR1C3 P42330 7/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
MEN1 O00255 1/20 0.39
PDE8B O95263 1/20 0.39

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
SCHEMBL7825463 0.93 ALOX15 (0.42) ALOX15L3MBTL1KMT2ANPC1CYP1A2
SCHEMBL7822742 0.90 SMN1; SMN2 (0.43) ALOX15L3MBTL1KMT2ANPC1CYP1A2
SCHEMBL7827738 0.90 ALOX15 (0.42) ALOX15L3MBTL1KMT2AAKR1C3POLB
SCHEMBL7815954 0.89 HPGD (0.50) ALOX15L3MBTL1CYP1A2CYP3A4AKR1C3
SCHEMBL7826324 0.88 MAPT (0.43) ALOX15L3MBTL1KMT2ACYP1A2CYP3A4
SCHEMBL7829356 0.88 ALOX15 (0.40) ALOX15L3MBTL1KMT2AAKR1C3POLB
SCHEMBL5519562 0.88 LMNA (0.47) ALOX15L3MBTL1NPC1CYP1A2CYP2D6
SCHEMBL7823358 0.87 PTGER4 (0.42) ALOX15L3MBTL1KMT2AAKR1C3POLB
SCHEMBL7827135 0.87 POLB (0.43) ALOX15L3MBTL1KMT2AAKR1C3POLB
SCHEMBL7816184 0.86 CYP19A1 (0.44) ALOX15L3MBTL1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
EP-0674521-A4 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17-g(b)-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5-g(a)-ANDROST-1-EN-3-ONES. MERCK & CO INC (US) 1998-02-04 EP disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed
EP-0674521-A1 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17$g(b)-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5$g(a)-ANDROST-1-EN-3-ONES MERCK & CO. INC. (US) 1995-10-04 EP disclosed
WO-1994014452-A1 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17β-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5α-ANDROST-1-EN-3-ONES MERCK & CO., INC. (US) 1994-07-07 WO disclosed