SCHEMBL9795192

SCHEMBL9795192

CCOc1ccccc1NC(=O)c1cccc2[nH]ccc12

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
MAPT P10636 2/20 0.55
GAA P10253 2/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
NPC1 O15118 1/20 0.55
MRGPRX1 Q96LB2 1/20 0.55
POLB P06746 3/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
RXFP1 Q9HBX9 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
DHPS P49366 1/20 0.51

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
SCHEMBL10812631 0.86 KMT2A (0.73) HSD17B10MAPTGAAMAPK1KMT2A
SCHEMBL9795045 0.86 HDAC1 (0.50) HSD17B10GAAKMT2AMEN1NPC1
SCHEMBL9132310 0.86 MEN1 (0.50) HSD17B10KMT2AMEN1NPC1MRGPRX1
SCHEMBL9129235 0.86 MEN1 (0.50) HSD17B10KMT2AMEN1NPC1MRGPRX1
SCHEMBL9130935 0.85 NR4A2 (0.53) HSD17B10KMT2AMEN1NPC1MRGPRX1
SCHEMBL9795043 0.85 HDAC1 (0.52) HSD17B10GAAKMT2AMEN1NPC1
SCHEMBL9131919 0.85 MEN1 (0.49) HSD17B10KMT2AMEN1NPC1MRGPRX1
SCHEMBL9132823 0.84 DHPS (0.50) HSD17B10GAAKMT2AMEN1NPC1
SCHEMBL9130225 0.83 NPC1 (0.47) HSD17B10KMT2AMEN1NPC1MRGPRX1
SCHEMBL9131833 0.83 KMT2A (0.47) HSD17B10KMT2AMEN1NPC1MRGPRX1

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-0213984-B1 INDOLE CARBOXAMIDE DERIVATIVES, THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1991-01-09 EP disclosed
EP-0213984-A1 Indole carboxamide derivatives, their salts, process and intermediates for their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1987-03-11 EP disclosed