SCHEMBL9250996

SCHEMBL9250996

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
PRKCZ Q05513 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP3A4 P08684 4/20 0.36
ROCK1 Q13464 2/20 0.36
ROCK2 O75116 2/20 0.36
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
ROS1 P08922 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CDK2 P24941 1/20 0.36
AKT1 P31749 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3B P49841 1/20 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
SCHEMBL7287307 0.85 CA1 (0.45) PRKCZCA1CA2CA9CYP3A4
SCHEMBL1401395 0.81 CA1 (0.44) PRKCZCA1CA2CA9MRGPRX4
SCHEMBL9250998 0.80 PRKCZ (0.37) MAPTPRKCZCA1CA2CA9
SCHEMBL8736474 0.77 L3MBTL1 (0.47) MAPTCA1CA2CA9CYP3A4
SCHEMBL9251005 0.75 PRKCZ (0.38) MAPTPRKCZCA1CA2CA9
SCHEMBL3933703 0.71 IKBKB (0.46) MAPTPRKCZCA1CA2CA9
SCHEMBL16863083 0.69 CA1 (0.47) CA1CA2CA9
SCHEMBL4056753 0.69 CA1 (0.51) CA1CA2CA9
SCHEMBL3999022 0.67 KCNH2 (0.45) PRKCZROCK1IKBKB
SCHEMBL31719936 0.67 CYP17A1 (0.49) MAPTPRKCZMRGPRX4IKBKBPORCN

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