SCHEMBL5403495

SCHEMBL5403495

O=S(=O)([O-])c1ccc(F)cc1.c1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.41
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL454457 0.88 HTR6 (0.44) PKMKMT2ATSHRHSD17B10KEAP1
SCHEMBL5419133 0.82 PGR (0.41) PKMKMT2ANFE2L2ALDH1A1HPGD
Trifluoromethanesulfonic Acid SCHEMBL503264 0.81 GPR3 (0.43) PKMPTGS2PTGS1KMT2ATSHR
Toliodium SCHEMBL5400817 0.81 ACHE (0.46) KMT2ATSHRALDH1A1CA1CA2
SCHEMBL5382700 0.81 ACHE (0.46) KMT2ATSHRALDH1A1CA1CA2
SCHEMBL52309 0.81 MMP2 (0.46) KMT2AMAPK1ALDH1A1HPGDCA1
SCHEMBL503538 0.80 ALDH1A1 (0.43) KMT2ATSHRKEAP1NFE2L2ALDH1A1
SCHEMBL10492043 0.79 MMP2 (0.45) KMT2AMAPK1ALDH1A1HPGDCA1
SCHEMBL11393462 0.79 FAAH (0.39) KMT2ATSHRHSD17B10ALDH1A1HPGD
SCHEMBL6914789 0.79 MMP2 (0.50) PKMPTGS2PTGS1KMT2AMAPK1

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