SCHEMBL9505734

SCHEMBL9505734

CCCCCC[n+]1ccccc1Cc1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
HTT P42858 6/20 0.43
KMT2A Q03164 6/20 0.43
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 5/20 0.43
RAD52 P43351 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.43
HSP90AA1 P07900 2/20 0.43
RGS12 O14924 1/20 0.43
USP2 O75604 1/20 0.43
THRB P10828 1/20 0.43
MCL1 Q07820 1/20 0.43
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 4/20 0.39
CYP1A2 P05177 1/20 0.39

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
Bromide SCHEMBL11538772 0.90 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTKMT2A
Hydrochloric Acid SCHEMBL1072628 0.90 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTKMT2A
Hydrochloric Acid SCHEMBL16144877 0.90 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL9503603 0.83 CHRM2 (0.51) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL9504938 0.80 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL9503633 0.76 CHRM2 (0.69) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL9505762 0.76 CHRM2 (0.69) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL9502804 0.76 CHRM2 (0.69) SMN1; SMN2NPC1RAB9AHTTKMT2A
Cetylpyridinium SCHEMBL9505118 0.76 CHRM2 (0.69) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL9299022 0.76 CHRM2 (0.69) SMN1; SMN2NPC1RAB9AHTTKMT2A

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