SCHEMBL9764893

SCHEMBL9764893

Cc1cccc[n+]1CCCCC[n+]1ccccc1C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.73
POLB P06746 1/20 0.73
RAB9A P51151 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
BCHE P06276 13/20 0.41
ACHE P22303 13/20 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
SCHEMBL9504938 0.94 SMN1; SMN2 (0.65) NPC1POLBRAB9ASMN1; SMN2ACHE
SCHEMBL3606677 0.87 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
SCHEMBL3603641 0.87 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
SCHEMBL4890046 0.87 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
SCHEMBL3600997 0.87 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
SCHEMBL3592351 0.87 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
SCHEMBL3598215 0.87 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
Bromide SCHEMBL4887911 0.85 NPC1 (1.00) NPC1POLBRAB9ASMN1; SMN2BCHE
Bromide SCHEMBL3595600 0.85 NPC1 (1.00) NPC1POLBRAB9ASMN1; SMN2BCHE
Bromide SCHEMBL3601102 0.85 NPC1 (1.00) NPC1POLBRAB9ASMN1; SMN2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5070203-A CHARGE CONTROL AGENTS IN ELECTROGRAPHIC TONERS AND DEVELOPERS EASTMAN KODAK COMPANY (US) 1991-12-03 US claimed
US-5041625-A Thermal stability EASTMAN KODAK COMPANY (US) 1991-08-20 US claimed
US-5070203-A CHARGE CONTROL AGENTS IN ELECTROGRAPHIC TONERS AND DEVELOPERS EASTMAN KODAK COMPANY (US) 1991-12-03 US disclosed
US-5041625-A Thermal stability EASTMAN KODAK COMPANY (US) 1991-08-20 US disclosed