SCHEMBL8556719

SCHEMBL8556719

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.44
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX5 P09917 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
HTT P42858 2/20 0.36
ROCK1 Q13464 1/20 0.36
XIAP P98170 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL8556721 0.80 TRPV4 (0.44) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8558579 0.78 KMT2A (0.48) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8561960 0.78 NPC1 (0.52) RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8557444 0.75 MEN1 (0.65) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL8560928 0.74 KMT2A (0.39) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8557533 0.69 NPC1 (0.46) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL9125026 0.69 RORC (0.38) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8556724 0.66 ALDH1A1 (0.42) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL16607218 0.65 SMN1; SMN2 (0.60) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8558581 0.63 KMT2A (0.49) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2

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-0518731-B1 2-(Indol-2-yl-carbonylamino)-thiazole derivatives, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-08-26 EP 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