SCHEMBL10698880

SCHEMBL10698880

CCN1C(=O)C(C)c2cc3nc(-c4ccccn4)[nH]c3cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 12/20 0.51
METAP2 P50579 7/20 0.51
METAP1 P53582 5/20 0.51
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
PKM P14618 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 1/20 0.50
RUNX1 Q01196 1/20 0.45
HPGD P15428 3/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MTOR P42345 1/20 0.44
GCK P35557 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL10700922 0.89 CBFB (0.52) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10699247 0.87 CBFB (0.47) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10696060 0.86 CBFB (0.54) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10699100 0.82 ALDH1A1 (0.45) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL10531281 0.81 CBFB (0.48) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10699321 0.80 HPGD (0.51) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL10698629 0.79 SCD (0.43) SMN1; SMN2HPGDALDH1A1HSD17B10
SCHEMBL10700349 0.77 AURKA (0.62) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10697132 0.75 NPC1 (0.48) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL10532180 0.73 CBFB (0.49) 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