SCHEMBL7842821

SCHEMBL7842821

CS(=O)(=O)c1ccccc1-c1sc(C(=O)Nc2cccc(Br)c2)nc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
PTGS2 P35354 6/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ESRRG P62508 2/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ESR1 P03372 1/20 0.40
FFAR1 O14842 1/20 0.40
ALOX5 P09917 1/20 0.39

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
SCHEMBL7845585 0.93 GRM5 (0.43) GRM5PTGS2ALDH1A1HTTMEN1
SCHEMBL7841026 0.92 ESRRG (0.48) PTGS2ALDH1A1HTTMEN1KMT2A
SCHEMBL7841887 0.90 PTGS2 (0.43) PTGS2MEN1KMT2AMAPTNPC1
SCHEMBL7842019 0.90 ATR (0.46) PTGS2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7842580 0.89 PTGS2 (0.43) PTGS2ALDH1A1HTTMEN1KMT2A
SCHEMBL7846162 0.89 PTGS2 (0.46) PTGS2MEN1KMT2AMAPTNPC1
SCHEMBL7844026 0.88 NPSR1 (0.45) PTGS2MAPTESRRGESR1ALOX5
SCHEMBL7845582 0.86 PTGS2 (0.56) PTGS2ESRRGESR1
SCHEMBL7842819 0.86 PTGS2 (0.56) PTGS2ESRRGESR1
SCHEMBL7842984 0.85 PTGS2 (0.44) PTGS2ALOX5

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