SCHEMBL15439586

SCHEMBL15439586

CCC(=O)C(=NN(C)Cc1ccccc1)C(C)=NN(C)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.41
RIPK1 Q13546 2/20 0.40
G6PC1 P35575 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL15439585 1.00 NPC1 (0.41) NPC1RAB9ACA12CA9LMNA
SCHEMBL15439349 0.89 NPC1 (0.45) NPC1RAB9ACA12CA9LMNA
SCHEMBL15439351 0.89 NPC1 (0.45) NPC1RAB9ACA12CA9LMNA
SCHEMBL15439879 0.87 NPC1 (0.42) NPC1RAB9ACA12CA9LMNA
SCHEMBL15439878 0.87 NPC1 (0.42) NPC1RAB9ACA12CA9LMNA
SCHEMBL15439494 0.84 G6PC1 (0.51) NPC1RAB9ACA12CA9LMNA
SCHEMBL15439493 0.84 G6PC1 (0.51) NPC1RAB9ACA12CA9LMNA
SCHEMBL15439885 0.81 NPC1 (0.49) NPC1RAB9ACA12CA9LMNA
SCHEMBL15439883 0.81 NPC1 (0.49) NPC1RAB9ACA12CA9LMNA
SCHEMBL15439176 0.81 NPC1 (0.46) NPC1RAB9ACA12CA9LMNA

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
US-9115231-B2 Polymers functionalized with protected hydrazone compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2015-08-25 US disclosed
US-20140031488-A1 Polymers Functionalized With Protected Hydrazone Compounds Containing An Acyl Group BRIDGESTONE CORPORATION (JP) 2014-01-30 US disclosed