SCHEMBL8558406

SCHEMBL8558406

CCOC(=O)Cc1sc(NC(=O)c2cc3ccccc3n2C(C)=O)nc1-c1ccc(OC)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
RAB9A P51151 4/20 0.42
NPSR1 Q6W5P4 4/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 8/20 0.40
HPGD P15428 5/20 0.40
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
APAF1 O14727 1/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 2/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
KLF5 Q13887 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38

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
SCHEMBL8557444 0.74 MEN1 (0.65) NPSR1LMNAALDH1A1HPGDKDM4E
SCHEMBL8561927 0.73 POLB (0.50) GAANPSR1LMNAMAPK1ALDH1A1
SCHEMBL8559753 0.70 GAA (0.53) GAARAB9ANPSR1LMNAALDH1A1
SCHEMBL6704378 0.68 CNR2 (0.40) RAB9AALDH1A1HPGDKDM4EMEN1
SCHEMBL8556721 0.68 TRPV4 (0.44) GAARAB9ANPSR1LMNAALDH1A1
SCHEMBL9125220 0.66 PLCG2 (0.51) RAB9ANPSR1LMNAALDH1A1HPGD
SCHEMBL6704382 0.66 TRPV4 (0.36) GAARAB9AALDH1A1HPGDKDM4E
SCHEMBL28665557 0.64 NOD2 (0.70) GAARAB9ALMNAALDH1A1HPGD
SCHEMBL8561835 0.64 RXFP1 (0.50) GAARAB9ANPSR1LMNAALDH1A1
SCHEMBL8556724 0.63 ALDH1A1 (0.42) RAB9AALDH1A1HPGDNPC1MAPT

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