SCHEMBL3756027

SCHEMBL3756027

COC(=O)Cc1nc(-c2ccccc2)no1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
NOTUM Q6P988 1/20 0.58
HPGD P15428 2/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.52
TSHR P16473 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
MAPT P10636 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
SCHEMBL4564362 0.86 HPGD (0.68) ALDH1A1NOTUMHPGDMEN1KMT2A
SCHEMBL563342 0.83 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2GAAMAPK1
SCHEMBL9830088 0.83 NOTUM (0.63) ALDH1A1NOTUMMEN1KMT2ANPC1
SCHEMBL4611029 0.83 ALDH1A1 (0.68) ALDH1A1NOTUMMEN1KMT2ANPC1
SCHEMBL10029560 0.81 TSHR (0.47) HPGDMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL14736736 0.80 NOTUM (0.63) ALDH1A1NOTUMMEN1KMT2ANPC1
SCHEMBL14736867 0.78 NOTUM (0.56) ALDH1A1NOTUMMEN1KMT2ANPC1
SCHEMBL629128 0.77 MAPT (0.47) HPGDMEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL2089122 0.76 RAB9A (0.69) ALDH1A1NOTUMHPGDMEN1KMT2A
SCHEMBL15452657 0.75 ALDH1A1 (0.67) ALDH1A1HPGDMEN1KMT2ANPC1

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 5 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
CN-101228115-A Bis-aromatic amides and their uses as sweet flavor modifiers, tastants and taste enhancers SENOMYX INC (US) 2008-07-23 CN 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