SCHEMBL10657891

SCHEMBL10657891

O=c1c2c(c3cccnc3n1Cc1cccs1)OCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 10/20 0.40
TSHR P16473 5/20 0.40
CYP1A2 P05177 12/20 0.40
CYP3A4 P08684 10/20 0.40
HSD17B10 Q99714 9/20 0.40
CYP2D6 P10635 6/20 0.40
CYP2C9 P11712 5/20 0.40
USP2 O75604 8/20 0.39
CASP1 P29466 5/20 0.39
CASP7 P55210 4/20 0.39
HIF1A Q16665 4/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 3/20 0.39
TP53 P04637 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
SCHEMBL10656189 0.94 MAPT (0.46) MAPTTHRBMEN1KMT2AALDH1A1
SCHEMBL10656086 0.83 ALDH1A1 (0.41) MAPTTHRBMEN1KMT2AALDH1A1
SCHEMBL10657448 0.83 CNR1 (0.45) MAPTTHRBMEN1KMT2ATP53
SCHEMBL10658805 0.82 MAPT (0.45) MAPTTHRBMEN1KMT2AALDH1A1
SCHEMBL10658406 0.81 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL10658335 0.80 MAPT (0.45) MAPTTHRBMEN1KMT2AALDH1A1
SCHEMBL10656072 0.76 CNR1 (0.46) MAPTTHRBMEN1KMT2AHPGD
SCHEMBL10653946 0.76 PLK1 (0.47) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL10659533 0.76 MAPT (0.43) MAPTTHRBMEN1KMT2AALDH1A1
SCHEMBL10658554 0.76 HRH1 (0.43) HSD17B10

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
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed