SCHEMBL6189633

SCHEMBL6189633

CCOC(=O)c1nc(-c2ccc(Br)cc2)c(-c2ccccc2)s1.CCOC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1.CCOC(=O)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.52
DBF4 Q9UBU7 4/20 0.52
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
DHODH Q02127 4/20 0.47
PTGS2 P35354 1/20 0.47
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
LMNA P02545 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARD Q03181 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
GRM6 O15303 1/20 0.43
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42

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
SCHEMBL5036754 0.93 CDC7 (0.58) CDC7DBF4CNR1CNR2KDM4E
SCHEMBL1250865 0.92 CDC7 (0.58) CDC7DBF4CNR1CNR2KDM4E
SCHEMBL2120730 0.90 CDC7 (0.53) CDC7DBF4CNR1CNR2KDM4E
SCHEMBL5034238 0.89 CDC7 (0.60) CDC7DBF4CNR1CNR2KDM4E
SCHEMBL5909592 0.86 PTGS2 (0.59) CDC7DBF4KDM4EMAPTDHODH
SCHEMBL4477519 0.85 CNR1 (0.57) CDC7DBF4CNR1CNR2KDM4E
SCHEMBL6205733 0.83 CNR1 (0.41) CDC7DBF4CNR1CNR2KDM4E
SCHEMBL5909547 0.82 PTGS2 (0.64) CDC7DBF4KDM4EMAPTDHODH
SCHEMBL5909558 0.80 PTGS2 (0.59) CDC7DBF4KDM4EMAPTDHODH
SCHEMBL5034224 0.80 CNR1 (0.57) CDC7DBF4CNR1CNR2KDM4E

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