SCHEMBL9982893

SCHEMBL9982893

CCCC1(C#N)CC(C)(C)N=NC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL12828318 0.72
SCHEMBL17446896 0.69
SCHEMBL11373490 0.67 NPC1 (0.39) NPC1MTORRAB9A
SCHEMBL4284031 0.67 NPC1 (0.39) NPC1MTORRAB9A
SCHEMBL24034112 0.64 NPC1 (0.37) NPC1MTORRAB9A
SCHEMBL9646487 0.61 NPC1 (0.34) NPC1MTORRAB9A
SCHEMBL9646482 0.61 NPC1 (0.34) NPC1MTORRAB9A
SCHEMBL15927737 0.60
SCHEMBL1487494 0.60 NPC1 (0.41) NPC1MTORRAB9A
SCHEMBL18202949 0.59 NPC1 (0.41) NPC1MTORRAB9A

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
US-20110305983-A1 Release Agent for Toner, and Toner IDEMITSU KOSAN CO., LTD. (JP) 2011-12-15 US disclosed