SCHEMBL9504938

SCHEMBL9504938

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.65
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
POLB P06746 1/20 0.65
HTT P42858 6/20 0.48
KMT2A Q03164 5/20 0.48
RAD52 P43351 5/20 0.48
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
HSP90AA1 P07900 3/20 0.48
RGS12 O14924 1/20 0.48
USP2 O75604 1/20 0.48
THRB P10828 1/20 0.48
MCL1 Q07820 1/20 0.48
CHRM2 P08172 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43

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
SCHEMBL9764893 0.94 NPC1 (0.73) SMN1; SMN2NPC1RAB9APOLBACHE
SCHEMBL2872475 0.89 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL4070988 0.89 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL627235 0.89 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL2867042 0.89 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL2864666 0.89 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL627771 0.89 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL628536 0.89 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL627732 0.89 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL29561257 0.89 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9APOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541631-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1993-05-19 EP claimed
WO-1992002504-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1992-02-20 WO claimed
US-5075190-A Heat and humidity resistant EASTMAN KODAK COMPANY (US) 1991-12-24 US claimed
EP-0541631-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1993-05-19 EP disclosed
EP-0495071-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1992-07-22 EP disclosed
WO-1992002504-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1992-02-20 WO disclosed
WO-1992002860-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1992-02-20 WO disclosed
US-5075190-A Heat and humidity resistant EASTMAN KODAK COMPANY (US) 1991-12-24 US disclosed