SCHEMBL9538940

SCHEMBL9538940

C[N+](C)(CCNC(=O)c1ccccc1)Cc1ccccc1.O=[N+]([O-])c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 2/20 0.47
CXCR3 P49682 1/20 0.47
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
NPC1 O15118 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL9538938 0.92 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2L3MBTL1RAB9A
SCHEMBL9540277 0.90 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2LMNAMEN1
SCHEMBL9539077 0.90 ALDH1A1 (0.54) ALDH1A1HPGDSMN1; SMN2L3MBTL1RAB9A
SCHEMBL9482308 0.83 MAPT (0.52) ALDH1A1SMN1; SMN2RAB9AGAAPOLB
SCHEMBL9540273 0.82 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL9540418 0.82 ALDH1A1 (0.54) ALDH1A1HPGDSMN1; SMN2L3MBTL1RAB9A
Benzododecinium SCHEMBL9496459 0.80 DNM1 (0.54) ALDH1A1SMN1; SMN2LMNAGAAMEN1
SCHEMBL133249 0.80 DNM1 (0.54) ALDH1A1SMN1; SMN2LMNAGAAMEN1
Bephenium SCHEMBL9186806 0.79 KMT2A (0.48) ALDH1A1SMN1; SMN2L3MBTL1MAOAGAA
Hydrochloric Acid SCHEMBL9539057 0.77 RAB9A (0.54) SMN1; SMN2RAB9ANPC1LMNAGAA

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-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-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