SCHEMBL9379028

SCHEMBL9379028

Nc1cccc(CC(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.55
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SRD5A2 P31213 2/20 0.50
PLAU P00749 2/20 0.47
RAB9A P51151 3/20 0.47
STS P08842 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CES1 P23141 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 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
Hydrochloric Acid SCHEMBL27745139 0.98 MAOA (0.55) PBRM1MAOAMAOBMAPTL3MBTL1
SCHEMBL29204353 0.89 PBRM1 (0.59) PBRM1MAOAMAOBMAPTL3MBTL1
Hydrochloric Acid SCHEMBL27745140 0.88 PBRM1 (0.58) PBRM1MAOAMAOBMAPTL3MBTL1
SCHEMBL11633589 0.87 MAPT (0.60) MAPTL3MBTL1SRD5A2PLAURAB9A
SCHEMBL20491314 0.85 RAB9A (0.45) MAOAMAOBMAPTL3MBTL1SRD5A2
SCHEMBL6424653 0.82 MAPT (0.52) MAOAMAOBMAPTL3MBTL1SRD5A2
SCHEMBL27625881 0.82 LOXL2 (0.51) MAPTL3MBTL1SRD5A2PLAUSTS
SCHEMBL13381372 0.81 SRD5A2 (0.62) MAPTL3MBTL1SRD5A2RAB9AKMT2A
SCHEMBL7475229 0.81 AKR1B1 (0.59) MAPTL3MBTL1SRD5A2PLAURAB9A
SCHEMBL166538 0.81 AKR1B1 (0.58) PBRM1MAOAMAOBMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1227555-A Cytokine production inhibitors triazepine compounds, and intermediates thereof JAPAN TOBACCO INC (JP) 1999-09-01 CN disclosed
CN-1171788-A Therapeutic agent for osteoporosis and triaza * compound JAPAN TOBACCO INC (JP) 1998-01-28 CN disclosed
EP-0628047-A1 NOVEL THERAPEUTICAL USE OF PYRIDYLPYRROLOTHIAZOLE CARBOXAMIDE DERIVATIVES Aventis Pharma S.A. (FR) 1994-12-14 EP disclosed
WO-1993017027-A1 NOVEL THERAPEUTICAL USE OF PYRIDYLPYRROLOTHIAZOLE CARBOXAMIDE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1993-09-02 WO disclosed