SCHEMBL8890469

SCHEMBL8890469

CSc1cc(OC(F)(F)F)ccc1C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ KCNK2 O95069 1/20 0.36
▸ KCNK10 P57789 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ LIPE Q05469 1/20 0.36
▸ P2RX1 P51575 1/20 0.35
▸ RHEB Q15382 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ TPX2 Q9ULW0 1/20 0.35

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
SCHEMBL28836960 0.82 THRA (0.44) FFAR4EPHX2PIM1THRATHRB
SCHEMBL4666472 0.80 FFAR4 (0.44) FFAR4EPHX2AKR1C2AKR1C1PIM1
SCHEMBL27874547 0.78 AKR1C2 (0.48) FFAR4EPHX2AKR1C2AKR1C1PIM1
SCHEMBL16398416 0.78 ALDH1A1 (0.44) FFAR4EPHX2AKR1C2AKR1C1PIM1
SCHEMBL12422194 0.76 FFAR4 (0.41) FFAR4EPHX2AKR1C2AKR1C1PIM1
SCHEMBL3028484 0.76 CES2 (0.46) ALDH1A1KDM4EGAAKMT2A
SCHEMBL1795070 0.74 ALDH1A1 (0.44) FFAR4EPHX2AKR1C2AKR1C1PIM1
SCHEMBL2580242 0.74 MAPT (0.47) FFAR4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL10333744 0.73 MAPT (0.43) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL2497740 0.73 KIF11 (0.37) FFAR4GPR3BCHEACHECHRM5

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-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 — — WO disclosed
Send feedback