SCHEMBL8560935

SCHEMBL8560935

CCc1sc(NC(=O)c2cc3ccccc3n2CC(=O)OC(C)(C)C)nc1-c1cccc(OC(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.36
CCKAR P32238 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TRPV4 Q9HBA0 6/20 0.35
RORC P51449 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
SCHEMBL8558589 0.90 MEN1 (0.46) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL8560930 0.82 KMT2A (0.41) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL9125041 0.79 MAPT (0.42) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL8560928 0.78 KMT2A (0.39) ALDH1A1TSHRMEN1CCKARKMT2A
SCHEMBL4538756 0.73 ALDH1A1 (0.49) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL8558581 0.72 KMT2A (0.49) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL9125033 0.71 TRPV4 (0.41) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL8558579 0.67 KMT2A (0.48) ALDH1A1TSHRHSD17B10MEN1CCKAR
SCHEMBL19410240 0.67 KMT2A (0.52) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3958982 0.67 CCR2 (0.56) ALDH1A1TSHRMEN1KMT2AKDM4E

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-0518731-B1 2-(Indol-2-yl-carbonylamino)-thiazole derivatives, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-08-26 EP disclosed
US-5380736-A Cholecystokinin and gastric antagonist ELF SANOFI (FR) 1995-01-10 US disclosed
US-5314889-A Hormone antagonists ELF SANOFI (FR) 1994-05-24 US disclosed
EP-0518731-A1 Heterocyclic derivatives of substituted 2-acylamino 5-thiazole, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-12-16 EP disclosed