SCHEMBL8024394

SCHEMBL8024394

NC(Cc1ccccc1)C(=O)ONC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CTSL P07711 1/20 0.48
CTRB1 P17538 5/20 0.48
SLC15A1 P46059 1/20 0.47
TPH1 P17752 1/20 0.47
PIN1 Q13526 2/20 0.47
TACR1 P25103 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL6929828 0.86 ALDH1A1 (0.54) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL788933 0.84 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL27441072 0.83 ALDH1A1 (0.51) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL4461997 0.83 ALPI (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9711285 0.82 ALPI (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL11039107 0.80 HPGD (0.57) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2785098 0.79 SLC7A5 (0.70) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL366884 0.79 ALPI (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL14876594 0.79 ALPI (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28267046 0.79 ALPI (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114381-A TO CONTROL BRAIN DAMAGE ASSOCIATED WITH ANOXIA OR ISCHEMIA WHICH TYPICALLY FOLLOWS STROKE, CARDIAC ARREST OR PERINATAL ASPHYXIA; COMPOUND IS AN ANTAGONIST TO INHIBIT EXCITOTOXIC ACTIONS AT EXCITATORY AMINO ACID RECEPTOR SITES G. D. SEARLE & CO. (US) 2000-09-05 US disclosed