SCHEMBL8104786

SCHEMBL8104786

Cn1cc[n+](CCNc2ccc(O)cc2N)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.35
PTGER4 P35408 2/20 0.33
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
PLEC Q15149 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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 SCHEMBL7718845 0.99 PRSS1 (0.34) PRSS1PTGER4HDAC6KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7713852 0.97 PRSS1 (0.35) PRSS1PTGER4
SCHEMBL8104847 0.78 TSHR (0.30)
Hydrochloric Acid SCHEMBL7718297 0.77
SCHEMBL8104608 0.77
SCHEMBL8095464 0.76 ALDH1A1 (0.33) KDM4EALDH1A1GAAMAPTTHRB
Hydrochloric Acid SCHEMBL7717328 0.76
Hydrochloric Acid SCHEMBL7721076 0.76 ALDH1A1 (0.32) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL2924185 0.75 MAPT (0.36) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL5242262 0.75 KDM4E (0.31) KDM4EALDH1A1

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-1022271-A1 Cationic monobenzenic dyes, their use for the oxydative dyeing of keratinic fibres ,dye compositions and dyeing processes L'OREAL (FR) 2000-07-26 EP claimed
EP-1022271-A1 Cationic monobenzenic dyes, their use for the oxydative dyeing of keratinic fibres ,dye compositions and dyeing processes L'OREAL (FR) 2000-07-26 EP disclosed