SCHEMBL21235447

SCHEMBL21235447

COC(=O)c1cc2cc(F)c(F)c(F)c2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.55
CYP1A2 P05177 1/20 0.45
ALPL P05186 3/20 0.43
GAA P10253 3/20 0.41
GLA P06280 2/20 0.41
MAPK1 P28482 1/20 0.41
EIF4A3 P38919 1/20 0.40
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
SYK P43405 2/20 0.36

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
SCHEMBL3965725 0.83 XDH (0.55) XDHCYP1A2ALPLGAAGLA
SCHEMBL21225422 0.81 EIF4A3 (0.54) EIF4A3KDM4EALDH1A1LMNAHPGD
SCHEMBL16235908 0.80 HRH4 (0.56) XDHCYP1A2ALPLHRH4
SCHEMBL25427384 0.79 CYP1A2 (0.44) XDHCYP1A2ALPLGAAGLA
SCHEMBL30310723 0.78 XDH (0.47) XDHCYP1A2ALPLGAAGLA
SCHEMBL7673791 0.78 XDH (0.47) XDHCYP1A2ALPLGAAGLA
SCHEMBL16235851 0.78 XDH (0.51) XDHCYP1A2ALPLGAAGLA
SCHEMBL31219118 0.78 XDH (0.51) XDHCYP1A2ALPLGAAGLA
SCHEMBL24843559 0.78 XDH (0.56) XDHCYP1A2ALPLGAAGLA
SCHEMBL20505622 0.76 XDH (0.44) XDHCYP1A2ALPLGAAGLA

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-2019152883-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADFORWARD LLC (US) 2019-08-08 WO disclosed