SCHEMBL5401602

SCHEMBL5401602

Cc1ccc([I+](OS(=O)(=O)c2cccc(F)c2)c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.40
HTR6 P50406 1/20 0.39
ACHE P22303 1/20 0.38
NFE2L2 Q16236 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 3/20 0.37
PGR P06401 1/20 0.35
MEN1 O00255 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP19A1 P11511 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GFER P55789 1/20 0.34
SLC10A2 Q12908 1/20 0.34
SLC10A1 Q14973 1/20 0.34
SLC10A6 Q3KNW5 1/20 0.34

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
SCHEMBL5419138 0.86 PGR (0.43) HTR6NFE2L2KMT2APGRMEN1
SCHEMBL5403685 0.85 KMT2A (0.38) HCRTR2HTR6ALDH1A1KMT2APGR
SCHEMBL5409946 0.85 ALDH1A1 (0.40) HTR6NFE2L2ALDH1A1KMT2APGR
SCHEMBL5412396 0.85 PTGER2 (0.37) HTR6ALDH1A1PGRCA1CA2
SCHEMBL5413752 0.82 CA2 (0.38) HCRTR2HTR6ALDH1A1KMT2APGR
SCHEMBL5398412 0.82 FFAR1 (0.48) HTR6NFE2L2ALDH1A1KMT2APGR
SCHEMBL5382705 0.81 ACHE (0.43) ACHEALDH1A1KMT2AMEN1
SCHEMBL5400819 0.81 ACHE (0.43) ACHEALDH1A1KMT2AMEN1
SCHEMBL2895875 0.81 VDR (0.42) NFE2L2ALDH1A1KMT2AMEN1CA12
SCHEMBL5410042 0.80 NPC1 (0.35) HCRTR2HTR6ALDH1A1KMT2APGR

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