SCHEMBL29955239

SCHEMBL29955239

Nc1cc(C=O)c(C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PIK3CD O00329 2/20 0.38
CA2 P00918 1/20 0.37
CHKA P35790 1/20 0.37
ERN1 O75460 3/20 0.36
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36
ASPH Q12797 1/20 0.35
PIK3CA P42336 7/20 0.34
MTOR P42345 7/20 0.34
EGFR P00533 1/20 0.34
PIK3C2B O00750 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PRKDC P78527 1/20 0.34
RICTOR Q6R327 1/20 0.34
RPTOR Q8N122 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34

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
SCHEMBL2439088 0.85 ALOX5AP (0.39) ALOX5APFEN1PIK3CDCA2CHKA
SCHEMBL2553149 0.78 ALOX5AP (0.45) ALOX5APFEN1PIK3CDERN1PIK3CA
SCHEMBL16558767 0.78 ERN1 (0.36) PIK3CDERN1ASPHPIK3CAPIK3R1
SCHEMBL16712832 0.76 CA2 (0.45) PIK3CDCA2CHKANOS3NOS2
SCHEMBL29952510 0.75 ALOX5AP (0.39) ALOX5APFEN1ERN1NOS3NOS2
Formic Acid SCHEMBL30949963 0.74 NOS3 (0.46) PIK3CDCA2CHKANOS3NOS2
SCHEMBL2562852 0.73 FEN1 (0.56) ALOX5APFEN1NOS3NOS2EGFR
SCHEMBL2966961 0.73 ERN1 (0.40) ERN1
SCHEMBL20772336 0.72 PIK3CD (0.42) ALOX5APFEN1PIK3CDCA2CHKA
SCHEMBL24858337 0.71 NOS3 (0.56) PIK3CDCA2CHKANOS3NOS2

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