SCHEMBL10695565

SCHEMBL10695565

CN1C(=O)Cc2cc3nc(-c4ccccn4)[nH]c3cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 11/20 0.55
METAP2 P50579 7/20 0.55
METAP1 P53582 6/20 0.55
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
PKM P14618 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 3/20 0.48
TP53 P04637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RUNX1 Q01196 1/20 0.48
GAA P10253 1/20 0.48
MTOR P42345 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL10700944 0.84 CBFB (0.54) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10697614 0.84 CBFB (0.47) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10697017 0.80 ALDH1A1 (0.49) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL10530451 0.79 CBFB (0.52) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10695333 0.79 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL10696060 0.76 CBFB (0.54) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10695132 0.76 CBFB (0.54) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10697210 0.76 CA12 (0.51) METAP2METAP1NPC1RAB9APKM
SCHEMBL10699168 0.75 SLC2A1 (0.49) NPC1RAB9APKMSMN1; SMN2KDM4E
SCHEMBL13866537 0.74 NPC1 (0.81) 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