SCHEMBL9538932

SCHEMBL9538932

CN(C)Cc1ccccc1CCNC(=O)c1ccccc1.O=[N+]([O-])c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HPGD P15428 3/20 0.53
CXCR3 P49682 1/20 0.50
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 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
SCHEMBL9540268 0.90 NQO2 (0.45) ALDH1A1SMN1; SMN2HPGDMAPTMEN1
SCHEMBL9539077 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDCXCR3KDM1A
SCHEMBL9186794 0.80 CHRNB2 (0.48) ALDH1A1SMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL9498960 0.79 MAPT (0.43) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL9498966 0.79 MAPT (0.43) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
Hydrochloric Acid SCHEMBL9539051 0.78 HIF1A (0.52) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL9540381 0.77 MAPT (0.53) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL9540386 0.77 MAPT (0.53) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL9538940 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDCXCR3KDM1A
SCHEMBL9540418 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDCXCR3KDM1A

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