SCHEMBL8556721

SCHEMBL8556721

CC(=O)n1c(C(=O)Nc2nc(-c3ccccc3)c(CCOC(=O)Nc3ccccc3)s2)cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.44
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALOX5 P09917 1/20 0.39
PLTP P55058 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 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
SCHEMBL8556719 0.80 GRM5 (0.44) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL8558581 0.80 KMT2A (0.49) TRPV4ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL8557444 0.78 MEN1 (0.65) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL8561965 0.77 NPC1 (0.52) TRPV4ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL8560930 0.76 KMT2A (0.41) TRPV4ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL8556724 0.72 ALDH1A1 (0.42) TRPV4ALDH1A1HSD17B10MAPTHPGD
SCHEMBL9125033 0.70 TRPV4 (0.41) TRPV4ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL8557539 0.70 TRPV4 (0.46) TRPV4ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL8558406 0.68 GAA (0.43) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL8558589 0.67 MEN1 (0.46) TRPV4ALDH1A1HSD17B10MAPTHPGD

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