SCHEMBL7018652

SCHEMBL7018652

NC(Cc1c2ccccc2nc2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.55
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
KDM4E B2RXH2 3/20 0.51
GLA P06280 1/20 0.51
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MPO P05164 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL27499561 0.83 KDM4E (0.47) KDM4EGLAKMT2AALDH1A1GAA
SCHEMBL6774643 0.83 KDM4E (0.47) KDM4EGLAKMT2AALDH1A1GAA
SCHEMBL12434729 0.83 ALPI (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL180266 0.83 ALPI (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29407854 0.83 ALPI (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL887084 0.83 ALPI (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL13410459 0.76 PKM (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL503050 0.76 LOXL2 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1662034 0.76 LOXL2 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29556980 0.76 LOXL2 (0.53) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255757-B1 AMINO ACID DERIVATIVES AND USE THEREOF AS NEP, ACE AND ECE INHIBITORS INST NAT SANTE RECH MED (FR) 2003-06-18 EP disclosed
EP-1255757-A1 AMINO ACID DERIVATIVES AND USE THEREOF AS NEP, ACE AND ECE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-11-13 EP disclosed
WO-2001060822-A1 AMINO ACID DERIVATIVES AND USE THEREOF AS NEP, ACE AND ECE INHIBITORS INSTITUT NATIONAL DE LA RECHERCHE MEDICALE INSERM (FR) 2001-08-23 WO disclosed