SCHEMBL4802502

SCHEMBL4802502

CN(CC(O)C(O)C(O)(C(O)CO)N(C)c1ccc(N)c2oc3ccccc3c12)c1ccc(N)c2oc3ccccc3c12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CDC14B O60729 1/20 0.30
CDC14A Q9UNH5 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
SCHEMBL4802496 0.82 CYP17A1 (0.34) CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL3881163 0.81 CYP17A1 (0.35) CYP17A1CYP19A1CYP11B1CYP11B2CDC14B
SCHEMBL3879331 0.80 CYP17A1 (0.36) CYP17A1CYP19A1CYP11B1CYP11B2CDC14B
SCHEMBL3878288 0.74 CYP17A1 (0.38) CYP17A1CYP19A1CYP11B1CYP11B2CDC14B
SCHEMBL3990840 0.73 MKNK1 (0.35) CYP17A1CYP19A1CYP11B1CYP11B2CDC14B
SCHEMBL3886090 0.67 ALDH1A1 (0.45) CYP17A1CYP19A1CYP11B1CYP11B2CDC14B
SCHEMBL3885319 0.66 MKNK1 (0.35)
SCHEMBL3874347 0.66 EGFR (0.31)
SCHEMBL3878218 0.65 PRKDC (0.38) CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL3874513 0.64 MKNK1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed