SCHEMBL27776830

SCHEMBL27776830

C=CC(N1CCOCC1)S(=O)(=O)c1ccc(C(C)N)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
IDH1 O75874 1/20 0.33
CNR1 P21554 2/20 0.33
MAPT P10636 2/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F2 P00734 1/20 0.31
F7 P08709 1/20 0.31
GSTO1 P78417 1/20 0.31
HSD11B1 P28845 1/20 0.30
FKBP1A P62942 1/20 0.30
AURKA O14965 1/20 0.30
RPS6KB1 P23443 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL27776657 0.89 CNR2 (0.35) CNR2LMNAPOLBCRHBPCRHR2
SCHEMBL27776670 0.84 LMNA (0.37) LMNAMAPTALDH1A1SMN1; SMN2AURKA
SCHEMBL841732 0.79 CNR2 (0.54) CNR2CNR1ALDH1A1SMN1; SMN2GSTO1
SCHEMBL27797574 0.77 F10 (0.34) LMNAMAPTALDH1A1SMN1; SMN2F2
SCHEMBL27797954 0.76 LMNA (0.32) LMNAIDH1ALDH1A1
SCHEMBL27797641 0.72 LMNA (0.36) LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL27797878 0.72 CYP3A4 (0.32) CNR2
SCHEMBL27835248 0.70 LMNA (0.37) CNR2LMNAPOLBCRHBPCRHR2
SCHEMBL27572409 0.67 CHRM2 (0.36) CNR1ALDH1A1SMN1; SMN2
SCHEMBL27693489 0.66 POLB (0.36) LMNAPOLBPIK3R1PIK3CAALDH1A1

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
CN-101687797-A Malonamide derivatives with antithrombotic activity SANOFI AVENTIS 2010-03-31 CN disclosed