SCHEMBL14106958

SCHEMBL14106958

CC(=O)N1c2ccncc2NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(OCc2ccccn2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
NOTCH1 P46531 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14107067 0.90 MEN1 (0.45) MEN1KMT2AKDM4EHSD17B10USP2
SCHEMBL14107078 0.89 KDM4E (0.48) MEN1KMT2AKDM4EHSD17B10USP2
SCHEMBL14107070 0.87 MEN1 (0.43) MEN1KMT2AKDM4EHSD17B10USP2
SCHEMBL14103065 0.86 MEN1 (0.45) MEN1KMT2AKDM4EHSD17B10NOTCH1
SCHEMBL14106957 0.85 MEN1 (0.47) MEN1KMT2AKDM4EHSD17B10USP2
SCHEMBL14107205 0.84 MEN1 (0.44) MEN1KMT2AKDM4EHSD17B10USP2
SCHEMBL4744098 0.84 MEN1 (0.48) MEN1KMT2AKDM4EHSD17B10USP2
SCHEMBL14107085 0.84 MEN1 (0.48) MEN1KMT2AKDM4EHSD17B10USP2
SCHEMBL14107088 0.84 MEN1 (0.48) MEN1KMT2AKDM4EHSD17B10USP2
SCHEMBL14107087 0.83 MEN1 (0.48) MEN1KMT2AKDM4EHSD17B10USP2

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
WO-2008099021-A1 DIBENZODIAZEPINONES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 WO disclosed