SCHEMBL15438775

SCHEMBL15438775

CC(=O)C1C(=NN(C)Cc2ccccc2)CCCC1=NN(C)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
SLC18A3 Q16572 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
G6PC1 P35575 1/20 0.37
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RIPK1 Q13546 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
SCHEMBL15438772 1.00 NPC1 (0.44) NPC1RAB9ACA12CA9SLC18A3
SCHEMBL15440023 0.93 NPC1 (0.41) NPC1RAB9ACA12CA9SLC18A3
SCHEMBL15440024 0.93 NPC1 (0.41) NPC1RAB9ACA12CA9SLC18A3
SCHEMBL15440296 0.87 G6PC1 (0.47) NPC1RAB9ACA12CA9SLC18A3
SCHEMBL15440298 0.87 G6PC1 (0.47) NPC1RAB9ACA12CA9SLC18A3
SCHEMBL15440173 0.82 NPC1 (0.38) NPC1RAB9ACA12CA9KMT2A
SCHEMBL15440175 0.82 NPC1 (0.38) NPC1RAB9ACA12CA9KMT2A
SCHEMBL15439705 0.82 NPC1 (0.38) NPC1RAB9ACA12CA9SLC18A3
SCHEMBL15440307 0.81 G6PC1 (0.44) NPC1RAB9ACA12CA9KMT2A
SCHEMBL15440305 0.81 G6PC1 (0.44) NPC1RAB9ACA12CA9KMT2A

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