SCHEMBL17833175

SCHEMBL17833175

O=C(N=NCCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KEAP1 Q14145 1/20 0.44
GPR52 Q9Y2T5 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HDAC1 Q13547 2/20 0.41
ADRA1A P35348 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8010207 0.81 GRIN1 (0.52) GRIN1GRIN2BNPC1RAB9ATDP1
SCHEMBL6335562 0.75 HIF1A (0.56) GRIN1GRIN2BTDP1SMN1; SMN2ADRA1A
SCHEMBL8392233 0.74 NPC1 (0.55) GRIN1GRIN2BNPC1RAB9ATDP1
SCHEMBL8115110 0.71 MAPT (0.53) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL1118662 0.70 KEAP1 (0.52) GRIN1GRIN2BNPC1RAB9ATDP1
SCHEMBL28775033 0.69 GRIN1 (0.61) GRIN1GRIN2BTDP1SMN1; SMN2ADRA1A
Benzoic Acid SCHEMBL4779307 0.69 DAO (0.70) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL443937 0.69 FFAR1 (0.58) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL3240431 0.68 GRIN1 (0.48) GRIN1GRIN2BNPC1RAB9ATDP1
SCHEMBL30762088 0.68 GRIN1 (0.66) GRIN1GRIN2BNPC1RAB9ATDP1

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