SCHEMBL9539244

SCHEMBL9539244

C[N+](C)(CCCNC(=O)c1ccccc1)Cc1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
NAAA Q02083 1/20 0.48
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MLYCD O95822 2/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
DNM1 Q05193 2/20 0.43
HSP90AA1 P07900 1/20 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
Hydrochloric Acid SCHEMBL9539057 0.83 RAB9A (0.54) NPC1RAB9ANAAAHDAC2HDAC8
SCHEMBL5481512 0.80 DNM1 (0.54) SMN1; SMN2DNM1MEN1TP53MAPK1
SCHEMBL17472220 0.78 DNM1 (0.53) SMN1; SMN2DNM1MEN1TP53MAPK1
Iodide SCHEMBL5125670 0.77 TMEM97 (0.49) NPC1RAB9ANAAAHDAC3HDAC4
SCHEMBL9539276 0.76 LMNA (0.48) NPC1RAB9ANAAAHDAC3HDAC4
Hydrochloric Acid SCHEMBL29140955 0.75 NAAA (0.61) NPC1RAB9ANAAAHDAC3HDAC4
SCHEMBL4621307 0.74 ACHE (0.43) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17323601 0.74 DNM1 (0.43) NPC1RAB9ASMN1; SMN2POLBDNM1
SCHEMBL17555032 0.74 DNM1 (0.48) NPC1RAB9ASMN1; SMN2POLBDNM1
SCHEMBL5866362 0.74 NAAA (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993002042-A1 AMIDE-CONTAINING QUATERNARY AMMONIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO 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 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
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