SCHEMBL9539316

SCHEMBL9539316

O=C(NCC[N+](Cc1ccccc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
OPRM1 P35372 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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 SCHEMBL9538582 0.78 RAB9A (0.53) NPC1RAB9ASMN1; SMN2LMNAHDAC2
SCHEMBL9539244 0.72 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNAHDAC2
SCHEMBL9539276 0.71 LMNA (0.48) NPC1RAB9ASMN1; SMN2LMNAHDAC2
SCHEMBL9540557 0.68 CTSL (0.42) NPC1RAB9AOPRM1TMEM97SIGMAR1
SCHEMBL5969148 0.68 ESRRG (0.60) NPC1RAB9ANR1H4HDAC2HDAC8
Hydrochloric Acid SCHEMBL9539057 0.67 RAB9A (0.54) NPC1RAB9ASMN1; SMN2LMNAHDAC2
SCHEMBL9539312 0.67 MTNR1A (0.48) NPC1RAB9ASMN1; SMN2HDAC2HDAC8
SCHEMBL9185596 0.66 CHRNA7 (0.42) ALOX5
SCHEMBL13202035 0.65 HDAC2 (0.65) NPC1RAB9AOPRM1TMEM97SIGMAR1
SCHEMBL27920877 0.65 NR1H4 (0.70) NR1H4HDAC2HDAC8HDAC6HDAC3

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-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
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