SCHEMBL10697614

SCHEMBL10697614

COCCN1C(=O)Cc2cc3nc(-c4ccccn4)[nH]c3cc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 13/20 0.47
METAP2 P50579 5/20 0.47
METAP1 P53582 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
RUNX1 Q01196 1/20 0.47
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GCK P35557 3/20 0.46

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
SCHEMBL10700944 0.87 CBFB (0.54) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10695565 0.84 CBFB (0.55) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10530411 0.83 CBFB (0.47) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10699532 0.80 SLC2A1 (0.47) NPC1RAB9APKMKDM4ELMNA
SCHEMBL10697404 0.80 TOP1 (0.44) KDM4ESMN1; SMN2
SCHEMBL10700908 0.80 AURKA (0.50) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10699247 0.80 CBFB (0.47) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10699776 0.80 CA12 (0.44) NPC1RAB9AKDM4EKMT2A
SCHEMBL10530503 0.77 CBFB (0.46) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10531412 0.77 CBFB (0.46) CBFBMETAP2METAP1NPC1RAB9A

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