SCHEMBL9539312

SCHEMBL9539312

O=C(NCCc1ccccc1C[NH+](c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
NQO2 P16083 1/20 0.48
HIF1A Q16665 1/20 0.43
TRPV1 Q8NER1 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NOD1 Q9Y239 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL9539241 0.73 NPC1 (0.51) MTNR1BHIF1ANPC1RAB9AHDAC1
SCHEMBL5969148 0.70 ESRRG (0.60) MTNR1AMTNR1BNQO2NPC1RAB9A
SCHEMBL5437839 0.67 MTNR1A (0.68) MTNR1AMTNR1BNQO2HIF1ATRPV1
SCHEMBL9539316 0.67 NPC1 (0.40) MTNR1AMTNR1BNQO2NPC1RAB9A
SCHEMBL8851828 0.67 HIF1A (0.57) MTNR1AMTNR1BNQO2HIF1ANPC1
SCHEMBL29090840 0.67 HDAC1 (0.57) MTNR1AMTNR1BNQO2TRPV1HDAC1
SCHEMBL5341583 0.66 MTNR1A (0.70) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL6077009 0.65 MTNR1A (0.69) MTNR1AMTNR1BNQO2HIF1ATRPV1
SCHEMBL6076123 0.65 MTNR1A (0.69) MTNR1AMTNR1BNQO2TRPV1NPC1
SCHEMBL7017220 0.65 MTNR1A (1.00) MTNR1AMTNR1BNQO2TRPV1

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
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