SCHEMBL9251005

SCHEMBL9251005

O=S(=O)(Oc1ccc2cnccc2c1)C(F)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.38
CYP3A4 P08684 5/20 0.37
ROCK1 Q13464 2/20 0.37
ROCK2 O75116 2/20 0.37
DYRK3 O43781 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
ROS1 P08922 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
AKT1 P31749 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3B P49841 1/20 0.37
IRAK1 P51617 1/20 0.37
RPS6KA3 P51812 1/20 0.37
PRKX P51817 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL7287307 0.77 CA1 (0.45) PRKCZCYP3A4ROCK1IKBKBCA1
SCHEMBL9250996 0.75 MAPT (0.38) PRKCZCYP3A4ROCK1ROCK2DYRK3
SCHEMBL1401395 0.73 CA1 (0.44) PRKCZIKBKBCA1CA2CA9
SCHEMBL9250998 0.72 PRKCZ (0.37) PRKCZCYP3A4ROCK1ROCK2DYRK3
SCHEMBL3933703 0.72 IKBKB (0.46) PRKCZCYP3A4ROCK1ROCK2DYRK3
SCHEMBL30050418 0.67 CYP11B2 (0.60) CYP3A4CYP19A1MAPT
SCHEMBL1204577 0.67 CYP11B2 (0.60) CYP3A4CYP19A1MAPT
SCHEMBL31588898 0.66 CACNA2D1 (0.47) PRKCZCYP3A4ROCK1ROCK2IKBKB
SCHEMBL21178930 0.66 PRKCZ (0.44) PRKCZCYP3A4ROCK1IKBKBIMPDH2
SCHEMBL19476153 0.66 NAMPT (0.53) CYP3A4ROCK1ROCK2IMPDH2

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-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed