SCHEMBL10658335

SCHEMBL10658335

CC1Cc2c(c3cccnc3n(Cc3cccs3)c2=O)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
THRB P10828 1/20 0.44
CYP1A2 P05177 12/20 0.41
CYP3A4 P08684 12/20 0.41
ALDH1A1 P00352 11/20 0.41
HSD17B10 Q99714 10/20 0.41
CASP1 P29466 7/20 0.41
CYP2D6 P10635 7/20 0.41
TP53 P04637 1/20 0.41
USP2 O75604 7/20 0.40
CASP7 P55210 6/20 0.40
HIF1A Q16665 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HBB P68871 2/20 0.40
CYP2C9 P11712 6/20 0.39
CYP2C19 P33261 5/20 0.39
TSHR P16473 5/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL10657751 0.84 CNR1 (0.46) MAPTTHRBTP53MEN1KMT2A
SCHEMBL10657891 0.80 MAPT (0.47) MAPTTHRBCYP1A2CYP3A4ALDH1A1
SCHEMBL10655505 0.78 PLK1 (0.44) MAPTCYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL10656189 0.78 MAPT (0.46) MAPTTHRBCYP1A2CYP3A4ALDH1A1
SCHEMBL10654520 0.77 KDM4E (0.38) MAPTALDH1A1HSD17B10CASP1CASP7
SCHEMBL9629927 0.73 PDE4A (0.48) CYP1A2ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL10377474 0.72 HPGD (0.48) CYP1A2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL10427753 0.71 MAPT (0.52) MAPTTHRBCYP1A2CYP3A4ALDH1A1
SCHEMBL10378372 0.71 HPGD (0.47) MAPTTHRBCYP1A2ALDH1A1TP53
SCHEMBL9629754 0.71 HPGD (0.47) MAPTCYP1A2ALDH1A1HSD17B10TP53

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