SCHEMBL6948954

SCHEMBL6948954

O=C(O)c1cccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
DHODH Q02127 11/20 0.55
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
PARP1 P09874 3/20 0.50
RNASEH1 O60930 1/20 0.50
HDAC6 Q9UBN7 1/20 0.47
BRS3 P32247 1/20 0.47

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
SCHEMBL29412049 0.89 PARP1 (0.60) NPC1RAB9ADHODHPARP1
SCHEMBL6945364 0.89 RAB9A (0.52) NPC1RAB9ADHODHPARP1RNASEH1
SCHEMBL6950091 0.88 DHODH (0.69) DHODHKDM4EHPGDPARP1HDAC6
SCHEMBL6946473 0.87 NPC1 (0.50) NPC1RAB9ADHODHPARP1RNASEH1
SCHEMBL6949168 0.84 DHODH (0.45) NPC1RAB9ADHODHPARP1RNASEH1
SCHEMBL9224298 0.84 KDM4E (0.54) DHODHKDM4EHPGDPARP1
SCHEMBL6943109 0.83 RAB9A (0.47) NPC1RAB9ADHODHPARP1RNASEH1
SCHEMBL6942886 0.83 PARP1 (0.48) NPC1RAB9AKDM4EPARP1
SCHEMBL6948942 0.82 BRD4 (0.50) NPC1RAB9ADHODHKDM4EPARP1
SCHEMBL6950048 0.82 RNASEH1 (0.50) NPC1RAB9ADHODHRNASEH1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed