SCHEMBL9539276

SCHEMBL9539276

C[N+](C)(CCNC(=O)c1ccccc1)c1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
NAAA Q02083 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 3/20 0.43
EPHX2 P34913 1/20 0.43
PRSS1 P07477 1/20 0.43
CTSG P08311 1/20 0.43
CTRB1 P17538 1/20 0.43
CMA1 P23946 1/20 0.43
RECQL P46063 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL15071554 0.77 LMNA (0.61) LMNAPOLBNPC1RAB9ANAAA
SCHEMBL9539244 0.76 NPC1 (0.52) LMNAPOLBNPC1RAB9ANAAA
SCHEMBL3192014 0.71 LMNA (0.77) LMNAPOLBNPC1RAB9ANAAA
Hydrochloric Acid SCHEMBL29140955 0.70 NAAA (0.61) LMNAPOLBNPC1RAB9ANAAA
Hydrochloric Acid SCHEMBL9539057 0.70 RAB9A (0.54) LMNAPOLBNPC1RAB9ANAAA
SCHEMBL13134046 0.69 CYP3A4 (0.46) POLBNAAAGAAEPHX2CYP3A4
Hydrochloric Acid SCHEMBL9538582 0.69 RAB9A (0.53) LMNAPOLBNPC1RAB9ASMN1; SMN2
Benzene SCHEMBL28248159 0.68 NAAA (0.73) LMNAPOLBNPC1RAB9ANAAA
SCHEMBL334957 0.68 NAAA (0.73) LMNAPOLBNPC1RAB9ANAAA
SCHEMBL9491686 0.68 NPC1 (0.75) LMNAPOLBNPC1RAB9ANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993002399-A1 TONERS AND DEVELOPERS CONTAINING AMIDE-CONTAINING QUATERNARY AMMONIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO claimed
WO-1993002042-A1 AMIDE-CONTAINING QUATERNARY AMMONIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO claimed
US-5162188-A Toners and developers containing amide-containing quaternary ammonium salts as charge control agents EASTMAN KODAK COMPANY (US) 1992-11-10 US claimed
WO-1993002042-A1 AMIDE-CONTAINING QUATERNARY AMMONIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed
US-5162188-A Toners and developers containing amide-containing quaternary ammonium salts as charge control agents EASTMAN KODAK COMPANY (US) 1992-11-10 US disclosed