SCHEMBL2585832

SCHEMBL2585832

NC(=O)c1cccc2c1c1[c]cccc1n2Cc1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
PARP1 P09874 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40
CD38 P28907 1/20 0.40
KIF11 P52732 5/20 0.39
CYP2C9 P11712 3/20 0.38
C5AR1 P21730 4/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 1/20 0.37
SCD O00767 1/20 0.37
MAOB P27338 1/20 0.37
RORC P51449 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
SCHEMBL28740851 0.92 CD38 (0.41) AURKARPS6KB1AURKBPARP1FABP3
SCHEMBL27531229 0.88 PTGDR2 (0.38) PARP1C5AR1
SCHEMBL27506000 0.88 PARP1 (0.36) PARP1KIF11
SCHEMBL27507603 0.88 FABP4 (0.40) FABP4
SCHEMBL27506443 0.86 KIF11 (0.41) AURKARPS6KB1AURKBPARP1FABP3
SCHEMBL27530189 0.86 CYP3A4 (0.39) AURKARPS6KB1AURKBPARP1FABP3
SCHEMBL27530624 0.86 KIF11 (0.42) AURKARPS6KB1AURKBPARP1FABP3
SCHEMBL27507584 0.86 CYP3A4 (0.39) AURKARPS6KB1AURKBPARP1FABP3
SCHEMBL7417015 0.86 L3MBTL1 (0.43) AURKARPS6KB1PARP1FABP3FABP4
SCHEMBL27525890 0.85 FABP4 (0.42) FABP4CYP3A4CD38RORC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102271507-A Secreted phospholipase A2(SPLA2) Inhibitor and niacin pharmaceutical composition and method for treating cardiovascular diseases and dyslipidemia 2011-12-07 CN disclosed
WO-2011137390-A1 TREATMENT OF MAJOR ADVERSE CARDIAC EVENTS AND ACUTE CORONARY SYNDROME IN DIABETIC PATIENTS USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR OR SPLA2 INHIBITOR COMBINATION THERAPIES ANTHERA PHARMACEUTICALS, INC. (US) 2011-11-03 WO disclosed
CN-1240210-A Substituted tricyclic compound LILLY CO ELI (US) 2000-01-05 CN disclosed