SCHEMBL5403499

SCHEMBL5403499

O=S(=O)(O[I+](c1ccccc1)c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.42
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HPGD P15428 1/20 0.37
SOS1 Q07889 1/20 0.37

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
SCHEMBL454458 0.87 HTR6 (0.42) KMT2APKMALDH1A1TSHRMAPK1
SCHEMBL5400819 0.83 ACHE (0.43) KMT2AMEN1FFAR4ALDH1A1GAA
SCHEMBL5382705 0.83 ACHE (0.43) KMT2AMEN1FFAR4ALDH1A1GAA
SCHEMBL52310 0.82 VDR (0.46) KMT2AMEN1FFAR1ALDH1A1GAA
SCHEMBL5419138 0.81 PGR (0.43) KMT2AMEN1GAANFE2L2
SCHEMBL547538 0.81 PTGS2 (0.41) ALDH1A1PTGS2PTGS1TSHRKEAP1
SCHEMBL10492049 0.81 VDR (0.45) KMT2AMEN1FFAR1ALDH1A1GAA
SCHEMBL2634850 0.79 LMNA (0.50) PKMALDH1A1GAACTSGCMA1
SCHEMBL7733563 0.79 CA1 (0.47) ALDH1A1KEAP1
SCHEMBL7739940 0.79 CA12 (0.35) KMT2AMEN1ALDH1A1MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312014-B2 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2007-12-25 US disclosed
US-20040170918-A1 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2004-09-02 US disclosed
EP-1406123-A1 RESIST COMPOSITIONS Wako Pure Chemical Industries, Ltd. (JP) 2004-04-07 EP disclosed