SCHEMBL5408003

SCHEMBL5408003

C#Cc1cccc(NC(=O)NC2CCCCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.65
NPC1 O15118 8/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
EPHX1 P07099 5/20 0.65
EPHX2 P34913 4/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
LMNA P02545 1/20 0.65
TSHR P16473 1/20 0.65
GAA P10253 1/20 0.65
PKM P14618 1/20 0.64
ALOX15 P16050 1/20 0.64
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56
MET P08581 1/20 0.56
KDR P35968 1/20 0.56
MERTK Q12866 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
POLB P06746 1/20 0.54
HTT P42858 1/20 0.52

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
SCHEMBL6724549 0.85 RAB9A (0.80) RAB9ANPC1SMN1; SMN2EPHX1EPHX2
SCHEMBL15975486 0.83 EPHX1 (0.74) RAB9ANPC1SMN1; SMN2EPHX1EPHX2
SCHEMBL4749975 0.81 MEN1 (0.60) RAB9ANPC1SMN1; SMN2EPHX1EPHX2
SCHEMBL17190122 0.80 RAB9A (0.72) RAB9ANPC1SMN1; SMN2EPHX1EPHX2
SCHEMBL12196175 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2EPHX1EPHX2
SCHEMBL15975491 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2EPHX1EPHX2
SCHEMBL23453336 0.78 RAB9A (0.68) RAB9ANPC1SMN1; SMN2EPHX1EPHX2
SCHEMBL4962264 0.78 PKM (1.00) RAB9ANPC1SMN1; SMN2EPHX1EPHX2
SCHEMBL812273 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2EPHX1EPHX2
SCHEMBL4266873 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2EPHX1EPHX2

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-2007141423-A1 PPAR ENHANCING DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF NEGMA-LERADS (FR) 2007-12-13 WO disclosed