SCHEMBL30487708

SCHEMBL30487708

O=S(=O)(c1cccc(Br)c1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 8/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.41
MMP2 P08253 1/20 0.41
KAT6A Q92794 2/20 0.40
ESPL1 Q14674 1/20 0.40
P2RX1 P51575 1/20 0.40
PGR P06401 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3453385 1.00 EPAS1 (0.49) EPAS1CA1CA2CA5ACA9
SCHEMBL8519013 0.85 ALDH1A1 (0.57) EPAS1CA1CA2ALDH1A1MMP2
SCHEMBL7486543 0.83 LRRK2 (0.44) EPAS1CA1CA2CA5ACA9
SCHEMBL30409698 0.81 CA2 (0.46) EPAS1CA1CA2CA5ACA9
SCHEMBL27246459 0.81 CA2 (0.46) EPAS1CA1CA2CA5ACA9
SCHEMBL12325608 0.80 ALDH1A1 (0.44) CA1CA2CA5ACA9ALDH1A1
SCHEMBL13807378 0.79 ALDH1A1 (0.45) EPAS1ALDH1A1ESPL1
SCHEMBL1272213 0.78 ALDH1A1 (0.50) EPAS1CA1CA2CA9ALDH1A1
SCHEMBL21585242 0.78 CA1 (0.42) CA1CA2CA5ACA9ALDH1A1
SCHEMBL17288903 0.78 ALDH1A1 (0.50) EPAS1CA1CA2ALDH1A1MMP2

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-110799490-B 3-arylpropionamide compound and method for producing 3-arylpropionate compound 住友化学株式会社 2023-05-02 CN disclosed