SCHEMBL10694340

SCHEMBL10694340

CC1C(=O)N(C)c2cc3nc(-c4ccccn4)n(C)c3cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
HRH3 Q9Y5N1 4/20 0.40
DHFR P00374 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.37
APAF1 O14727 1/20 0.37
KDM4A O75164 1/20 0.37
TDP2 O95551 1/20 0.37
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL10697132 0.87 NPC1 (0.48) CA12CA9NPC1RAB9AHRH3
SCHEMBL10707505 0.84 CA12 (0.44) CA12CA9NPC1RAB9AHRH3
SCHEMBL10698542 0.81 CA12 (0.44) CA12CA9NPC1RAB9AHRH3
SCHEMBL10696064 0.80 MEN1 (0.47) CA12CA9NPC1RAB9ADHFR
SCHEMBL10696205 0.76 CA12 (0.51) CA12CA9NPC1RAB9AHRH3
SCHEMBL10695550 0.75 MEN1 (0.47) CA12CA9NPC1RAB9ADHFR
SCHEMBL10695097 0.75 PARP1 (0.40) CA12CA9NPC1RAB9AHRH3
SCHEMBL10698013 0.75 CA12 (0.50) CA12CA9NPC1RAB9ADHFR
SCHEMBL10696060 0.74 CBFB (0.54) NPC1RAB9AKMT2AKDM4ELMNA
SCHEMBL10696066 0.74 ALDH1A1 (0.38) NPC1RAB9AKMT2AMEN1KDM4E

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