SCHEMBL8309499

SCHEMBL8309499

O=C(Nc1cccc2ccccc12)[C@H](Cc1ccccc1)NC(=O)[C@H]1N[C@@H]1C(=O)O.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.47
GSK3B P49841 1/20 0.47
USP30 Q70CQ3 12/20 0.47
PSMB5 P28074 1/20 0.45
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7358769 0.90 MEN1 (0.56) MEN1KMT2AKDM4EGSK3BUSP30
SCHEMBL7356227 0.86 MEN1 (0.53) MEN1KMT2AKDM4EGSK3BUSP30
SCHEMBL7355198 0.83 MEN1 (0.55) MEN1KMT2AUSP30CYP1A2CYP3A4
SCHEMBL8305264 0.81 PSMB5 (0.47) MEN1KMT2APSMB5
SCHEMBL9569135 0.81 MEN1 (0.67) MEN1KMT2AUSP30NPC1CYP1A2
SCHEMBL7361179 0.79 MME (0.53)
SCHEMBL7353133 0.78 FCER2 (0.57) PSMB5
SCHEMBL17913121 0.78 MEN1 (0.66) MEN1KMT2AKDM4EGSK3BUSP30
SCHEMBL7358942 0.77 KMT2A (0.53) MEN1KMT2APSMB5
SCHEMBL7353158 0.76 FCER2 (0.57) PSMB5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed