SCHEMBL6205733

SCHEMBL6205733

CCOC(=O)c1nc(-c2cc3c(cc2Br)OCCO3)c(-c2ccccc2)s1.CCOC(=O)c1nc(-c2ccccc2)c(-c2cc3c(cc2Br)OCCO3)s1.O=C(O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)s1.O=C(O)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
DHODH Q02127 6/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CFTR P13569 1/20 0.36
PPARD Q03181 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35

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
SCHEMBL5909662 0.85 DHODH (0.45) CDC7DBF4MAPTKDM4EDHODH
SCHEMBL5909583 0.85 DHODH (0.45) CDC7DBF4MAPTKDM4EDHODH
SCHEMBL6189633 0.83 CDC7 (0.52) CNR1CNR2CDC7DBF4MAPT
SCHEMBL1250865 0.81 CDC7 (0.58) CNR1CNR2CDC7DBF4MAPT
SCHEMBL5034238 0.79 CDC7 (0.60) CNR1CNR2CDC7DBF4MAPT
SCHEMBL4477519 0.79 CNR1 (0.57) CNR1CNR2CDC7DBF4MAPT
SCHEMBL6187754 0.78 SMN1; SMN2 (0.37) CNR2MAPTKDM4EPTGS2LMNA
SCHEMBL6187166 0.78 SMN1; SMN2 (0.39) CNR2MAPTKDM4EPTGS2LMNA
SCHEMBL2120730 0.77 CDC7 (0.53) CNR1CNR2CDC7DBF4MAPT
SCHEMBL5036754 0.77 CDC7 (0.58) CNR1CNR2CDC7DBF4MAPT

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-1581214-A1 4,5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS Astrazeneca AB (SE) 2005-10-05 EP claimed
WO-2004058255-A1 4, 5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS ASTRAZENECA AB (SE) 2004-07-15 WO claimed