SCHEMBL8104847

SCHEMBL8104847

COc1cc(N)c(NCC[n+]2ccn(C)c2)cc1O

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
TAAR1 Q96RJ0 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 SCHEMBL7718297 0.99
SCHEMBL8095464 0.84 ALDH1A1 (0.33) TSHRMAPK1
Hydrochloric Acid SCHEMBL7721076 0.83 ALDH1A1 (0.32) TSHR
SCHEMBL2924185 0.79 MAPT (0.36) TSHRMAPK1
SCHEMBL8104608 0.79
SCHEMBL8104786 0.78 PRSS1 (0.35)
Hydrochloric Acid SCHEMBL5483280 0.78 MAPT (0.35) TSHRMAPK1
Hydrochloric Acid SCHEMBL7717328 0.77
Hydrochloric Acid SCHEMBL7718845 0.77 PRSS1 (0.34)
Hydrochloric Acid SCHEMBL7255251 0.77 MAPT (0.35) TSHRMAPK1

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