SCHEMBL13625699

SCHEMBL13625699

COC(=O)c1cc(CO)cc(C(=O)NCc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.63
PRKCD Q05655 1/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
PLA2G1B P04054 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
GAA P10253 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ATG4B Q9Y4P1 1/20 0.62
MLYCD O95822 2/20 0.60
MAPK14 Q16539 1/20 0.57
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
LMNA P02545 3/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.50
PSEN1 P49768 1/20 0.49

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
SCHEMBL13625756 0.92 MEN1 (0.72) PRKCAPRKCDMEN1KMT2APLA2G1B
SCHEMBL15847083 0.86 MLYCD (0.62) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL26508192 0.83 MEN1 (0.63) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL23978883 0.82 MEN1 (0.69) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL13626187 0.79 MEN1 (0.48) PRKCAPRKCDMEN1KMT2APLA2G1B
SCHEMBL5227678 0.79 MLYCD (0.86) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL23447721 0.79 MLYCD (0.77) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL2770270 0.79 NOTUM (0.62) PRKCAPRKCDGAATDP1LMNA
SCHEMBL26625302 0.78 MLYCD (0.76) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL13625633 0.78 PRKCA (1.00) PRKCAPRKCDLMNA

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-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed