SCHEMBL9569135

SCHEMBL9569135

O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
USP30 Q70CQ3 13/20 0.66
NPC1 O15118 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
RAB9A P51151 1/20 0.59
CTSL P07711 2/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55

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
SCHEMBL30172750 0.88 MEN1 (0.58) MEN1KMT2AUSP30
SCHEMBL16993944 0.88 USP30 (0.56) MEN1KMT2AUSP30CTSLCTSS
SCHEMBL16993989 0.88 MEN1 (0.58) MEN1KMT2AUSP30
SCHEMBL16999274 0.87 USP30 (0.57) MEN1KMT2AUSP30CTSLCTSS
SCHEMBL16993928 0.87 USP30 (0.57) MEN1KMT2AUSP30CTSLCTSS
SCHEMBL16999623 0.84 USP30 (0.54) MEN1KMT2AUSP30CYP1A2CYP3A4
SCHEMBL17913121 0.84 MEN1 (0.66) MEN1KMT2AUSP30
SCHEMBL16999330 0.84 USP30 (0.59) MEN1KMT2AUSP30
SCHEMBL16994008 0.84 USP30 (0.59) MEN1KMT2AUSP30
SCHEMBL16993945 0.83 CTSL (0.59) USP30NPC1RAB9ACTSLCTSS

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-0549264-A1 Purified para-nitrobenzyl esterase from bacillus OKLAHOMA STATE UNIVERSITY (US) 1993-06-30 EP disclosed