SCHEMBL14786288

SCHEMBL14786288

CNC(O)(C[N+](C)(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.43
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
CHRM5 P08912 2/20 0.39
KDM4E B2RXH2 2/20 0.38
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CYP2C19 P33261 4/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 2/20 0.34
CYP2D6 P10635 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL30553574 0.78 KCNN4 (0.48) KCNN4CYP2C19CYP1A2CYP2C9LMNA
SCHEMBL975058 0.78 KCNN4 (0.48) KCNN4CYP2C19CYP1A2CYP2C9LMNA
SCHEMBL6287223 0.78 KCNN4 (0.48) KCNN4KDM4ECYP2C19CYP1A2CYP2C9
SCHEMBL30553493 0.78 KCNN4 (0.48) KCNN4CYP2C19CYP1A2CYP2C9LMNA
Hydrochloric Acid SCHEMBL3830549 0.76 KCNN4 (0.46) KCNN4CHRM2CHRM4CHRM1CHRM3
Water SCHEMBL11082875 0.72 CYP2C19 (0.46) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL27958788 0.69 L3MBTL1 (0.46) KCNN4CHRM2CHRM4CHRM1CHRM3
SCHEMBL14086352 0.68 KCNN4 (0.56) KCNN4CYP2C19CYP1A2CYP2C9LMNA
SCHEMBL8149759 0.67 PTPN1 (0.46) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL3345076 0.66 KCNN4 (0.54) KCNN4KDM4ECYP2C19CYP1A2CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755629-A1 DYE COMPOSITION COMPRISING A CATIONIC PARA-AMINOPHENOL OXIDATION BASE L'OREAL (FR) 2014-07-23 EP disclosed
WO-2013037907-A1 DYE COMPOSITION COMPRISING A CATIONIC PARA-AMINOPHENOL OXIDATION BASE L'OREAL (FR) 2013-03-21 WO disclosed