SCHEMBL9957744

SCHEMBL9957744

C[N+]1(CCCNc2ncc(N)cc2N)CCOCC1.C[N+]1(CCNc2ncc(N)cc2N)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
EGFR P00533 1/20 0.32

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
SCHEMBL1981761 0.98 HPGD (0.34) HPGDALOX15EGFR
SCHEMBL1978056 0.95 TERT (0.32) HPGDALOX15
SCHEMBL1998225 0.91 HPGD (0.32) HPGDALOX15
SCHEMBL1979398 0.88
SCHEMBL1981257 0.86 BBOX1 (0.30)
SCHEMBL1978970 0.85 CHRM2 (0.32)
SCHEMBL1980472 0.83
SCHEMBL1984163 0.82 HTT (0.30)
Hydrochloric Acid SCHEMBL1979558 0.80
SCHEMBL1984863 0.80

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
WO-2012084472-A1 PROCESS FOR DYEING KERATIN FIBRES USING HYDROXYBENZALDEHYDE DERIVATIVES, OXIDIZING AGENTS AND ALKALINIZING AGENTS IN THE PRESENCE OF HEAT L'OREAL (FR) 2012-06-28 WO disclosed