SCHEMBL7841008

SCHEMBL7841008

Cc1csc(-c2sc(-c3ccccc3Cl)nc2-c2cccs2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.59
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS1 P23219 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
RPS6KB2 Q9UBS0 1/20 0.36
MAPK14 Q16539 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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 0.89 PTGS2 (0.45) PTGS2ALDH1A1LMNAHPGDHSD17B10
SCHEMBL7843825 0.86 PTGS2 (0.55) PTGS2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7846633 0.86 PTGS2 (0.43) PTGS2ALDH1A1LMNAHPGDHSD17B10
SCHEMBL7842150 0.85 PTGS2 (0.51) PTGS2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7846621 0.84 PTGS2 (0.60) PTGS2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7832883 0.84 PTGS2 (0.55) PTGS2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7832430 0.84 PTGS2 (0.50) PTGS2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7846290 0.83 PTGS2 (0.49) PTGS2ALDH1A1LMNAHPGDHTT
SCHEMBL7844308 0.82 PTGS2 (0.53) PTGS2ALDH1A1LMNAHPGDHTT
SCHEMBL7842651 0.82 PTGS2 (0.59) PTGS2ALDH1A1LMNAKDM4EPTGS1

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