SCHEMBL15036561

SCHEMBL15036561

CCCCCCNc1ccc(/N=C2/C=C(Nc3ccc(NCCCC)cc3)C(=O)C(OC)=C2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ ALOX5 P09917 15/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MPEG1 Q2M385 3/20 0.34

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
SCHEMBL16426056 0.91 IDO1 (0.37) IDO1MEN1APAF1NPC1RAB9A
SCHEMBL16426683 0.81 RAB9A (0.48) IDO1MEN1APAF1NPC1RAB9A
SCHEMBL15036510 0.80 ALOX5 (0.33) MEN1KMT2AALOX5MPEG1
SCHEMBL16426689 0.80 IDO1 (0.43) IDO1MEN1APAF1NPC1RAB9A
SCHEMBL15036533 0.78 KCNH3 (0.33) MEN1APAF1NPC1RAB9AKMT2A
SCHEMBL15020256 0.77 IDO1 (0.37) IDO1MEN1APAF1NPC1RAB9A
SCHEMBL15020258 0.77 IDO1 (0.37) IDO1MEN1APAF1NPC1RAB9A
SCHEMBL15019818 0.72 MAPT (0.52) IDO1MEN1APAF1NPC1RAB9A
SCHEMBL15019822 0.72 MAPT (0.52) IDO1MEN1APAF1NPC1RAB9A
SCHEMBL12332660 0.72 SMN1; SMN2 (0.36) MEN1APAF1NPC1RAB9ABLM

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-2013087772-A1 TRI-AROMATIC AZOMETHINE DIRECT DYES COMPRISING AT LEAST ONE UNIT DERIVED FROM RESORCINOL, DYEING COMPOSITION, METHOD AND USE L'OREAL (FR) 2013-06-20 — — WO disclosed
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