SCHEMBL3753522

SCHEMBL3753522

CC(C)(C#N)c1cc(-c2ccccc2)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALDH1A1 P00352 3/20 0.44
NOTUM Q6P988 1/20 0.42
PTGS2 P35354 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 1/20 0.38
EPHX2 P34913 1/20 0.36

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
SCHEMBL9607554 0.81 RAB9A (0.55) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL3771884 0.74 ALDH1A1 (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL28320114 0.74 RAB9A (0.55) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL20320548 0.72 CNR2 (0.38) RAB9ANPC1ALDH1A1MAPT
SCHEMBL28320122 0.71 RAB9A (0.52) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL23604131 0.71 CLK4 (0.44) NOTUMTDP1USP30
SCHEMBL1012771 0.70 CNR2 (0.37) ALDH1A1MAPT
SCHEMBL23966685 0.70 MEN1 (0.41) RAB9ANPC1MEN1KMT2A
SCHEMBL25799445 0.69 CNR2 (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL28319053 0.69 RAB9A (0.49) RAB9ANPC1CASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842324-B2 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2010-11-30 US disclosed
EP-1907353-A2 BIS-AROMATIC AMIDES AND THEIR USES AS SWEET FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx Inc. (US) 2008-04-09 EP disclosed
US-20070003680-A1 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. 2007-01-04 US disclosed
WO-2006138512-A2 BIS-AROMATIC AMIDES AND THEIR USES AS SWEET FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-12-28 WO disclosed