SCHEMBL10698284

SCHEMBL10698284

COCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1cccnc1)N3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
RECQL P46063 2/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
RXFP1 Q9HBX9 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL10696318 0.89 KDM4E (0.41) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL10698037 0.88 ALDH1A1 (0.38) KDM4EMAPTRECQLALDH1A1HSD17B10
SCHEMBL10697577 0.88 KDM4E (0.40) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL10700217 0.87 KDM4E (0.41) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL10696477 0.87 KDM4E (0.42) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL10695491 0.86 MAPT (0.42) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL10696420 0.84 ELANE (0.43) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL10691679 0.82 KDM4E (0.45) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL10700914 0.82 HPGD (0.38) MEN1KMT2AKDM4EMAPTRECQL
SCHEMBL10698974 0.81 KMT2A (0.37) MEN1KMT2AKDM4EMAPTRECQL

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