SCHEMBL9866675

SCHEMBL9866675

O=S(=O)(NCCC(F)(F)F)c1cccc(F)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.35
IDH2 P48735 1/20 0.34
PKM P14618 2/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
PRKD3 O94806 2/20 0.33
PRKCG P05129 2/20 0.33
PRKCB P05771 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
PRKCA P17252 2/20 0.33
NFKB1 P19838 2/20 0.33
PRKCH P24723 2/20 0.33
PRKCI P41743 2/20 0.33
PRKCE Q02156 2/20 0.33
PRKCQ Q04759 2/20 0.33
PRKCZ Q05513 2/20 0.33
PRKCD Q05655 2/20 0.33
PRKD1 Q15139 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL27350633 0.81 PNMT (0.33) PNMTPKMPIK3CDPIK3CBPIK3CG
SCHEMBL9867001 0.79 IDH2 (0.36) IDH2KAT6AL3MBTL1ALDH1A1
SCHEMBL9735053 0.79 ALDH1A1 (0.38) PKMKMT2AMEN1CYP3A4CYP2D6
SCHEMBL9867686 0.78 NFE2L2 (0.33) PNMTPKMKMT2APIK3CDPIK3CB
SCHEMBL9867938 0.78 POLB (0.51) PKMKMT2AMEN1LMNAGLRA3
SCHEMBL9866452 0.74 ALDH1A1 (0.43) PKMKMT2ALMNAALDH1A1
SCHEMBL22163647 0.73 PTGS1 (0.33)
SCHEMBL9868435 0.72 L3MBTL1 (0.38) KMT2AMEN1LMNASMN1; SMN2L3MBTL1
SCHEMBL9378913 0.71 KIF18A (0.47) KMT2AMEN1CYP3A4LMNASMN1; SMN2
SCHEMBL9868009 0.71 KEAP1 (0.48) PKMKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4987141-A DERIVATIVES OF BENZENE OR PYRIDINE HAVING SULFONATE AND SULFENYL, SULFONIMIDE OR SULFONAMIDE GROUPS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-22 US disclosed
EP-0356029-A2 Insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-28 EP disclosed