SCHEMBL17833243

SCHEMBL17833243

NN=Nc1ccc(-c2ccccc2)cc1C(=O)NCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
FAAH O00519 1/20 0.49
HIF1A Q16665 3/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL17833343 0.81 IKBKB (0.55) MEN1KMT2ARXFP1FAAHHIF1A
SCHEMBL13073425 0.72 HDAC2 (0.76) MEN1KMT2ARXFP1HIF1ANPC1
SCHEMBL10133038 0.70 MEN1 (0.72) MEN1KMT2ARXFP1HIF1ANPC1
SCHEMBL8339590 0.69 MAPT (0.63) MEN1KMT2ARXFP1FAAHHIF1A
SCHEMBL5321712 0.69 DNMT3A (0.69) NPC1RAB9AMAPT
SCHEMBL5320191 0.68 NPC1 (0.67) HIF1ANPC1RAB9ALMNAMAPT
SCHEMBL27592472 0.68 NPC1 (0.67) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL25782291 0.68 ALOX15 (0.71) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1849467 0.68 MAPT (0.79) KMT2ANPC1RAB9ALMNAMAPT
SCHEMBL3454053 0.68 HDAC2 (0.66) MEN1KMT2AFAAHNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016094690-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2016-06-16 WO disclosed
WO-2016094682-A2 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2016-06-16 WO disclosed