SCHEMBL29956411

SCHEMBL29956411

Nc1cnc(C(F)(F)F)c(C=O)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ERN1 O75460 1/20 0.31

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
SCHEMBL1663334 0.72 NOS3 (0.37)
SCHEMBL30591803 0.72 CA2 (0.33) ALOX5APFEN1
SCHEMBL29955769 0.71 CYP1A2 (0.38) ERN1
SCHEMBL8364837 0.71 ERN1 (0.34) ERN1
SCHEMBL29911691 0.71 MAPT (0.36)
SCHEMBL26177172 0.71 ALDH1A1 (0.39)
SCHEMBL25742364 0.70 GLA (0.38) ERN1
SCHEMBL4888975 0.70 KDM4E (0.44) ALOX5APFEN1
SCHEMBL29912000 0.70 KDM4E (0.32)
SCHEMBL20831541 0.69 ERN1 (0.34) ERN1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed