SCHEMBL7555085

SCHEMBL7555085

OC1(c2cccs2)c2nsnc2C(O)(c2cccs2)c2nsnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PRCP P42785 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
LMNA P02545 1/20 0.33
KIF11 P52732 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL7316770 0.72 PDK2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7319059 0.68 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1308581 0.66
SCHEMBL7315587 0.65 KDM4E (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4222787 0.65 OPRM1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1401189 0.63 OPRM1 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1310931 0.63 OPRM1 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1309560 0.63 OPRM1 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31389179 0.62 RAB9A (0.49) KMT2AMEN1LMNAKDM4EMAPK1
SCHEMBL1309718 0.61 SLC6A2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230246-A2 NOVEL THIOPHENES AND METHOD FOR POLYMERIZATION OF SAID THIOPHENES Bayer Aktiengesellschaft (DE) 2002-08-14 EP disclosed
WO-2001032664-A2 NOVEL THIOPHENES AND METHOD FOR POLYMERIZATION OF SAID THIOPHENES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-10 WO disclosed