SCHEMBL5282964

SCHEMBL5282964

CCn1nnc(C#N)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.33
CTSK P43235 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC9A1 P19634 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
SCHEMBL5277530 0.88 ALDH1A1 (0.30) ALDH1A1HPGDTDP1
SCHEMBL5277432 0.86 CTSK (0.33) CYP11B2CTSKALDH1A1SLC9A1
SCHEMBL5278278 0.84 ALDH1A1 (0.31) ALDH1A1HPGDTDP1SLC9A1
SCHEMBL5273941 0.83 SLC9A1 (0.36) CYP11B2CTSKALDH1A1SLC9A1
SCHEMBL5275872 0.82 ALDH1A1 (0.33) ALDH1A1HPGDTDP1SLC9A1
SCHEMBL5282197 0.81 SLC9A1 (0.39) CTSKSLC9A1
SCHEMBL5276779 0.79 ALDH1A1 (0.32) ALDH1A1HPGDTDP1
SCHEMBL5281767 0.76 CYP11B2 (0.38) CYP11B2
SCHEMBL5279929 0.76 ALDH1A1 (0.33) CYP11B2ALDH1A1HPGDTDP1SLC9A1
SCHEMBL5278549 0.75 SLC9A1 (0.33) CTSKSLC9A1

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
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed