SCHEMBL9505075

SCHEMBL9505075

CC[n+]1ccccc1.Clc1ccc([B-](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.41
CYP1A2 P05177 1/20 0.35
CHKA P35790 3/20 0.31
HDAC8 Q9BY41 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ABCB11 O95342 1/20 0.31
ESR1 P03372 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL9505074 0.84 LMNA (0.40) ALDH1A1LMNANPSR1HSD17B10ABCB11
SCHEMBL9805862 0.81 CHAT (0.33) PABPC1CYP1A2TSHRALDH1A1
SCHEMBL9764921 0.80 BCHE (0.54) ACHE
SCHEMBL20841978 0.73 CYP1A2 (0.57) CYP1A2TSHRALDH1A1LMNANR1H3
SCHEMBL5972567 0.73 CYP1A2 (0.57) CYP1A2TSHRALDH1A1LMNANR1H3
SCHEMBL1725286 0.72 ACHE (0.48) TSHRLMNAABCB11ESR1PGR
SCHEMBL337270 0.72 LMNA (0.57) CYP1A2TSHRALDH1A1LMNAHSD17B10
SCHEMBL98339 0.72
SCHEMBL9003722 0.70 MEN1 (0.41) ALDH1A1LMNANPSR1HSD17B10
1-Ethylquinolonium SCHEMBL9645511 0.70 MEN1 (0.49) LMNANPSR1ACHE

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 10 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
EP-0495071-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1992-07-22 EP claimed
WO-1992002504-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1992-02-20 WO claimed
WO-1992002860-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS 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