SCHEMBL5697163

SCHEMBL5697163

COc1ccc(NCO)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 4/20 0.50
GAA P10253 4/20 0.50
THRB P10828 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
MCL1 Q07820 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 1/20 0.43
HPGD P15428 2/20 0.41
PTGER4 P35408 2/20 0.41
GFER P55789 2/20 0.40
NPC1 O15118 1/20 0.40
EGFR P00533 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRSS1 P07477 5/20 0.39

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
SCHEMBL8371590 0.86 ALDH1A1 (0.47) ALDH1A1MAPTGAATHRBKDM4E
SCHEMBL24732041 0.86 ALDH1A1 (0.47) ALDH1A1MAPTGAATHRBKDM4E
Hydrochloric Acid SCHEMBL8372875 0.85 ALDH1A1 (0.50) ALDH1A1MAPTGAATHRBKDM4E
SCHEMBL8348984 0.84 ALDH1A1 (0.51) ALDH1A1MAPTGAATHRBKDM4E
SCHEMBL13500618 0.83 PRSS1 (0.49) ALDH1A1MAPTGAATHRBKDM4E
SCHEMBL9604216 0.79 ALDH1A1 (0.44) ALDH1A1MAPTGAATHRBKDM4E
SCHEMBL17934176 0.79 PTGER4 (0.46) ALDH1A1MAPTGAATHRBKDM4E
SCHEMBL29703915 0.77 ALDH1A1 (0.53) ALDH1A1MAPTGAATHRBKDM4E
SCHEMBL29703916 0.77 ALDH1A1 (0.53) ALDH1A1MAPTGAATHRBKDM4E
SCHEMBL431525 0.77 ALDH1A1 (0.53) ALDH1A1MAPTGAATHRBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362579-B1 Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2006-05-24 EP disclosed
EP-1362579-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-11-19 EP disclosed
EP-1300135-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP disclosed