SCHEMBL7832883

SCHEMBL7832883

Cc1csc(-c2sc(-c3ccccc3Cl)nc2-c2ccccc2F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.55
PTGS1 P23219 2/20 0.48
APEX1 P27695 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MBNL1 Q9NR56 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL7844544 0.92 PTGS2 (0.45) PTGS2PTGS1L3MBTL1ALDH1A1TDP1
SCHEMBL7843838 0.91 PTGS2 (0.60) PTGS2PTGS1APEX1L3MBTL1ALDH1A1
SCHEMBL7846633 0.88 PTGS2 (0.43) PTGS2PTGS1L3MBTL1ALDH1A1TDP1
SCHEMBL7842651 0.86 PTGS2 (0.59) PTGS2PTGS1APEX1ALDH1A1LMNA
SCHEMBL7843825 0.86 PTGS2 (0.55) PTGS2PTGS1L3MBTL1ALDH1A1TDP1
SCHEMBL7842150 0.85 PTGS2 (0.51) PTGS2PTGS1APEX1L3MBTL1ALDH1A1
SCHEMBL7843877 0.84 PTGS2 (0.61) PTGS2PTGS1L3MBTL1ALDH1A1TDP1
SCHEMBL7841008 0.84 PTGS2 (0.59) PTGS2PTGS1L3MBTL1ALDH1A1TDP1
SCHEMBL7832430 0.84 PTGS2 (0.50) PTGS2PTGS1APEX1L3MBTL1ALDH1A1
SCHEMBL7846290 0.83 PTGS2 (0.49) PTGS2PTGS1APEX1L3MBTL1ALDH1A1

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