SCHEMBL2930258

SCHEMBL2930258

Cc1ccc(NCC[N+](C)(C)C)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.55
APP P05067 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
THRB P10828 2/20 0.41
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRSS1 P07477 10/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
PLEC Q15149 1/20 0.38
HSD17B10 Q99714 1/20 0.37
PTGER4 P35408 2/20 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
Hydrochloric Acid SCHEMBL7638960 0.98 HDAC6 (0.54) HDAC6APPTDP1THRBALOX15
SCHEMBL15546688 0.84 PRSS1 (0.41) HDAC6THRBPRSS1ALDH1A1KDM4E
SCHEMBL124591 0.82 HDAC6 (0.71) HDAC6TDP1THRBALOX15TP53
SCHEMBL2929676 0.81 CYP3A4 (0.40) HDAC6APPTDP1THRBALOX15
SCHEMBL3637289 0.80 HDAC6 (0.59) HDAC6APPTDP1THRBALOX15
Hydrochloric Acid SCHEMBL6273139 0.80 CYP3A4 (0.39) HDAC6APPTDP1THRBALOX15
SCHEMBL2722710 0.80 ALDH1A1 (0.56) HDAC6APPTDP1THRBALOX15
SCHEMBL1497919 0.79 HDAC6 (0.58) HDAC6TDP1THRBALOX15TP53
SCHEMBL7137884 0.77 HDAC6 (0.65) HDAC6TDP1THRBALOX15TP53
SCHEMBL2925414 0.77 MAPT (0.44) HDAC6APPTDP1THRBALOX15

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
EP-0983996-A1 Cationic ortho-phenylenediamines, their use for oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP claimed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
EP-1073407-B1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE ORQUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES OREAL (FR) 2005-04-20 EP disclosed
EP-0983996-A1 Cationic ortho-phenylenediamines, their use for oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP disclosed