SCHEMBL7844544

SCHEMBL7844544

Cc1csc(-c2sc(-c3ccccc3Cl)nc2-c2ccccc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.45
PTGS1 P23219 2/20 0.43
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP19A1 P11511 1/20 0.35
MEN1 O00255 1/20 0.35
PPARG P37231 1/20 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
SCHEMBL7846633 0.94 PTGS2 (0.43) PTGS2PTGS1ALDH1A1L3MBTL1TDP1
SCHEMBL7832883 0.92 PTGS2 (0.55) PTGS2PTGS1ALDH1A1L3MBTL1TDP1
SCHEMBL7843825 0.91 PTGS2 (0.55) PTGS2PTGS1ALDH1A1L3MBTL1TDP1
SCHEMBL7842150 0.90 PTGS2 (0.51) PTGS2PTGS1ALDH1A1L3MBTL1TDP1
SCHEMBL7832430 0.89 PTGS2 (0.50) PTGS2PTGS1ALDH1A1L3MBTL1TDP1
SCHEMBL7841008 0.89 PTGS2 (0.59) PTGS2PTGS1ALDH1A1L3MBTL1TDP1
SCHEMBL7846290 0.88 PTGS2 (0.49) PTGS2PTGS1ALDH1A1L3MBTL1TDP1
SCHEMBL7844308 0.88 PTGS2 (0.53) PTGS2PTGS1ALDH1A1L3MBTL1TDP1
SCHEMBL7843838 0.88 PTGS2 (0.60) PTGS2PTGS1ALDH1A1L3MBTL1TDP1
SCHEMBL7842651 0.87 PTGS2 (0.59) PTGS2PTGS1ALDH1A1MAPTLMNA

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-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