SCHEMBL10700985

SCHEMBL10700985

CCN1C(=O)C(C)c2cc3c(cc21)N(C)C(c1ccc(O)cc1)N3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 8/20 0.33
ALDH1A1 P00352 7/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
GAA P10253 4/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 2/20 0.32
ATM Q13315 1/20 0.32
USP2 O75604 1/20 0.32
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CAPN1 P07384 1/20 0.32
ADORA3 P0DMS8 1/20 0.30
CFTR P13569 1/20 0.30

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
SCHEMBL10698690 0.90 MEN1 (0.33) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL10697977 0.87 MEN1 (0.36) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL10694978 0.86 MEN1 (0.36) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL10704063 0.81 KDM4E (0.40) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL10698445 0.79 MEN1 (0.36) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL10699480 0.78 KDM4E (0.34) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL10697809 0.78 CNR1 (0.39) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL10700180 0.78 BRD4 (0.36) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL10700950 0.77 MEN1 (0.36) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL10699882 0.75 KDM4E (0.35) KDM4EALDH1A1HPGDCASP1CASP7

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