SCHEMBL11698441

SCHEMBL11698441

O=S(=O)(F)c1ccc(C(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.43
TMPRSS4 Q9NRS4 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
TRPV4 Q9HBA0 1/20 0.39
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CA2 P00918 2/20 0.33
NOTUM Q6P988 1/20 0.32
AGER Q15109 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3457899 0.82 ALDH1A1 (0.48) TSHRTRPV4ALDH1A1LMNAMAPT
SCHEMBL11574176 0.81 TSHR (0.56) F2TMPRSS4TP53CYP1A2CYP2D6
SCHEMBL17463073 0.78 TRPV4 (0.52) TRPV4ALDH1A1LMNAMAPTKDM4E
SCHEMBL17289163 0.78 ENPP2 (0.50) LMNA
SCHEMBL30003292 0.78 CA2 (0.54) TSHRALDH1A1CA2
SCHEMBL24810807 0.78 ALDH1A1 (0.50) F2TMPRSS4TP53CYP1A2CYP2D6
SCHEMBL28020890 0.75 PSIP1 (0.52) TRPV4ALDH1A1GAA
SCHEMBL7772183 0.75 F2 (0.39) F2TMPRSS4TP53CYP1A2CYP2D6
SCHEMBL7572550 0.75 F2 (0.39) F2TMPRSS4TP53CYP1A2CYP2D6
SCHEMBL626386 0.75 ADRB2 (0.46) F2TMPRSS4TP53CYP1A2CYP2D6

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-4051168-A TO FORM FLUOROALKYL AROMATIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-27 US disclosed