SCHEMBL5280974

SCHEMBL5280974

CC(C)n1nnc(C(F)(F)F)c1F

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5275164 0.84
SCHEMBL5282839 0.82
SCHEMBL5275214 0.79 CYP1A2 (0.30) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5275401 0.79 ALDH1A1 (0.30) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5278442 0.79
SCHEMBL5277791 0.78
SCHEMBL5278790 0.78 CYP1A2 (0.33) CYP1A2CYP2C19
SCHEMBL5279796 0.78 TOP2A (0.31)
SCHEMBL5276151 0.76
SCHEMBL5280730 0.76

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