SCHEMBL8667772

SCHEMBL8667772

CCOP(=O)(Cc1ccc(C(=S)Nc2nc3c(s2)Cc2ccccc2-3)cc1)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
ADORA2A P29274 1/20 0.46
MAPT P10636 10/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
APAF1 O14727 3/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TDP2 O95551 1/20 0.43
CASP3 P42574 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL8665878 0.91 MAPT (0.54) ADORA1ADORA2AMAPTALDH1A1KMT2A
SCHEMBL8666532 0.88 MAPT (0.52) MAPTALDH1A1KMT2AMEN1APAF1
SCHEMBL8666187 0.86 MAPT (0.37) MAPTALDH1A1KMT2AMEN1APAF1
SCHEMBL8673476 0.85 CCNT1 (0.36) ADORA1ADORA2AMAPTALDH1A1KMT2A
SCHEMBL8665872 0.83 ADORA1 (0.41) ADORA1ADORA2AMAPTALDH1A1KMT2A
SCHEMBL8666340 0.79 MAPT (0.42) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL8671673 0.79 MAPT (0.63) MAPTALDH1A1KMT2AMEN1APAF1
SCHEMBL8667035 0.77 MAPT (0.45) MAPTALDH1A1KMT2AMEN1APAF1
SCHEMBL8666934 0.77 ADORA1 (0.55) ADORA1ADORA2AMAPTALDH1A1KMT2A
SCHEMBL8668405 0.76 HDAC1 (0.42) MAPTALDH1A1KMT2AMEN1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638581-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 1998-12-23 EP disclosed
US-5480874-A THIAZOLE AND IMIDAZOLE DERIVATIVES; ANTIHYPERLIPIDEMICS AND HYPOGLYCEMICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-01-02 US disclosed
EP-0638581-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-15 EP disclosed