SCHEMBL7843975

SCHEMBL7843975

CCOC(=O)c1ccc(Nc2nc(-c3ccc(F)cc3)c(-c3ccc(S(N)(=O)=O)cc3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.56
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CHRNA7 P36544 1/20 0.48
DHODH Q02127 7/20 0.48
CA9 Q16790 4/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 3/20 0.46

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
SCHEMBL7842530 0.92 PTGS2 (0.68) PTGS2ALDH1A1LMNAKDM4EDHODH
SCHEMBL7833260 0.90 PTGS2 (0.53) PTGS2ALDH1A1LMNAKDM4EMEN1
SCHEMBL7843978 0.86 KDM4E (0.48) PTGS2ALDH1A1LMNAKDM4EMEN1
SCHEMBL7839771 0.86 CA1 (0.54) PTGS2MEN1KMT2ACA9CA1
SCHEMBL2696746 0.82 DHODH (0.64) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL207160 0.81 DHODH (0.69) PTGS2ALDH1A1LMNAKDM4EMEN1
SCHEMBL7847201 0.81 PTGS2 (0.64) PTGS2ALDH1A1LMNAKDM4EDHODH
SCHEMBL7842533 0.81 PTGS2 (0.49) PTGS2ALDH1A1LMNAKDM4EMEN1
SCHEMBL7843751 0.78 PTGDR2 (0.59) PTGS2MEN1KMT2ACA9CA1
SCHEMBL5725174 0.78 CCNA2 (0.78) MEN1KMT2ACCNA2CDK2

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
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed