SCHEMBL9513475

SCHEMBL9513475

O=C(Nc1cccc2[nH]ccc12)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHPS P49366 7/20 0.72
PARP1 P09874 6/20 0.69
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MAPK1 P28482 1/20 0.56
PARP14 Q460N5 1/20 0.53
PSMB8 P28062 1/20 0.52
MAPT P10636 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
MDM4 O15151 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL29429765 1.00 DHPS (0.72) DHPSPARP1NPC1RAB9ACYP1A2
SCHEMBL31156435 0.87 PARP1 (0.71) DHPSPARP1NPC1RAB9AMAPK1
SCHEMBL3194860 0.87 DHPS (0.67) DHPSPARP1NPC1RAB9ACYP1A2
SCHEMBL13483893 0.84 DHPS (1.00) DHPSPARP1NPC1RAB9A
SCHEMBL31156433 0.84 DHPS (0.76) DHPSPARP1NPC1RAB9ACYP1A2
SCHEMBL29901215 0.83 MAPK1 (0.63) DHPSPARP1MAPK1TRPV1
SCHEMBL4025098 0.83 MAPK1 (0.63) DHPSPARP1MAPK1TRPV1
SCHEMBL31156445 0.83 DHPS (0.67) DHPSPARP1NPC1RAB9AMAPK1
SCHEMBL9806209 0.83 DHPS (0.70) DHPSPARP1NPC1RAB9APARP14
SCHEMBL19977141 0.83 DHPS (0.56) DHPSPARP1NPC1RAB9ACYP1A2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275762-B1 Indole carboxamide derivatives and their salts, process and intermediates for their preparation, their use as medicines and compositions containing them ROUSSEL UCLAF (FR) 1993-11-18 EP claimed
EP-0275221-B1 N-(1H-INDOL-4-YL) BENZAMIDE DERIVATIVES, THEIR SALTS AND THEIR USE AS MEDICINES, AND COMPOSITION CONTAINING THEM ROUSSEL-UCLAF (FR) 1991-04-17 EP claimed
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 claimed
EP-0275762-A1 Indole carboxamide derivatives and their salts, process and intermediates for their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1988-07-27 EP claimed
EP-0275221-A2 N-(1H-indol-4-yl) benzamide derivatives, their salts and their use as medicines, and composition containing them ROUSSEL-UCLAF (FR) 1988-07-20 EP claimed
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 claimed
EP-0275762-B1 Indole carboxamide derivatives and their salts, process and intermediates for their preparation, their use as medicines and compositions containing them ROUSSEL UCLAF (FR) 1993-11-18 EP disclosed
EP-0275221-B1 N-(1H-INDOL-4-YL) BENZAMIDE DERIVATIVES, THEIR SALTS AND THEIR USE AS MEDICINES, AND COMPOSITION CONTAINING THEM ROUSSEL-UCLAF (FR) 1991-04-17 EP disclosed
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
US-4908367-A Antiarrythmic agents Uclaf, Roussel (FR) 1990-03-13 US disclosed
EP-0275762-A1 Indole carboxamide derivatives and their salts, process and intermediates for their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1988-07-27 EP disclosed
EP-0275221-A2 N-(1H-indol-4-yl) benzamide derivatives, their salts and their use as medicines, and composition containing them ROUSSEL-UCLAF (FR) 1988-07-20 EP disclosed
EP-0275221-A2 N-(1H-indol-4-yl) benzamide derivatives, their salts and their use as medicines, and composition containing them ROUSSEL-UCLAF (FR) 1988-07-20 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