SCHEMBL9539241

SCHEMBL9539241

C[NH+](C)Cc1ccccc1CCCNC(=O)c1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
NAAA Q02083 1/20 0.47
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.43
MTNR1B P49286 1/20 0.43
LMNA P02545 1/20 0.43
F10 P00742 1/20 0.42
HIF1A Q16665 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
SCHEMBL8851890 0.74 NPC1 (0.64) NPC1RAB9ANAAAHDAC3HDAC4
SCHEMBL5481617 0.74 LIPG (0.46)
SCHEMBL9491686 0.70 NPC1 (0.75) NPC1RAB9ANAAAHDAC3HDAC4
SCHEMBL8779817 0.70 HDAC1 (0.79) NPC1RAB9ANAAAHDAC3HDAC4
SCHEMBL2780537 0.70 HDAC1 (0.59) NPC1RAB9ANAAAHDAC3HDAC4
SCHEMBL9539244 0.69 NPC1 (0.52) NPC1RAB9ANAAAHDAC3HDAC4
SCHEMBL3225126 0.69 NPC1 (1.00) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL9188890 0.68 HDAC1 (0.82) NPC1RAB9ANAAAHDAC3HDAC4
SCHEMBL9489804 0.68 HDAC1 (0.82) NPC1RAB9ANAAAHDAC3HDAC4
SCHEMBL20734829 0.68 HDAC1 (0.82) NPC1RAB9ANAAAHDAC3HDAC4

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-1993002399-A1 TONERS AND DEVELOPERS CONTAINING AMIDE-CONTAINING QUATERNARY AMMONIUM SALTS AS CHARGE CONTROL AGENTS 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