SCHEMBL10691737

SCHEMBL10691737

CN1C(=O)Cc2cc3c(cc21)N(C)C(c1ccc(O)cc1)N3

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
CREBBP Q92793 1/20 0.35
ESR1 P03372 3/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
SMYD3 Q9H7B4 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.33
ESR2 Q92731 2/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TRIM24 O15164 1/20 0.32
BRD4 O60885 1/20 0.32
CFTR P13569 1/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL10700180 0.86 BRD4 (0.36) MEN1KMT2ARAB9AESR1KDM4E
SCHEMBL10701783 0.86 KMT2A (0.40) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL10695102 0.85 KDM4E (0.38) CREBBPKDM4EALDH1A1SMYD3HSD17B10
SCHEMBL10694302 0.79 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL10697092 0.76 CREBBP (0.36) MEN1KMT2ARAB9ACREBBPESR1
SCHEMBL10694978 0.76 MEN1 (0.36) MEN1KMT2ARAB9AESR1KDM4E
SCHEMBL10697214 0.75 ALDH1A1 (0.40) MEN1KMT2ARAB9ACREBBPKDM4E
SCHEMBL10698133 0.72 BRD4 (0.36) KMT2AKDM4EALDH1A1HSD17B10BRD4
SCHEMBL10700985 0.70 KMT2A (0.36) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL10697809 0.70 CNR1 (0.39) MEN1KMT2ARAB9AESR1KDM4E

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