SCHEMBL10698542

SCHEMBL10698542

COCCN1C(=O)C(C)c2cc3nc(-c4ccccn4)n(C)c3cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HRH3 Q9Y5N1 9/20 0.38
KCNH2 Q12809 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DHFR P00374 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CTSD P07339 2/20 0.34

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
SCHEMBL10707505 0.97 CA12 (0.44) CA12CA9NPC1RAB9AHRH3
SCHEMBL10700152 0.86 CA12 (0.45) CA12CA9NPC1RAB9AHRH3
SCHEMBL10697132 0.86 NPC1 (0.48) CA12CA9NPC1RAB9AHRH3
SCHEMBL10699875 0.83 MEN1 (0.40) CA12CA9NPC1RAB9AMEN1
SCHEMBL10694340 0.81 CA12 (0.50) CA12CA9NPC1RAB9AHRH3
SCHEMBL10697969 0.80 MEN1 (0.35) CA12CA9MEN1KMT2AKDM4E
SCHEMBL10699756 0.80 ALDH1A1 (0.45) NPC1RAB9AMEN1KMT2ADHFR
SCHEMBL10699877 0.80 MEN1 (0.41) CA12CA9NPC1RAB9AMEN1
SCHEMBL10699247 0.80 CBFB (0.47) NPC1RAB9AKMT2AKDM4E
SCHEMBL10699776 0.80 CA12 (0.44) CA12CA9NPC1RAB9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed