SCHEMBL5403682

SCHEMBL5403682

CCc1ccc([I+]c2ccc(CC)cc2)cc1.O=S(=O)([O-])c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
HTR2C P28335 3/20 0.35
HTR2A P28223 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
HTR6 P50406 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTR2B P41595 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 2/20 0.34
TP53 P04637 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
SCHEMBL5413749 0.89 CA2 (0.42) CA2ALDH1A1HTTSMN1; SMN2KMT2A
Toliodium SCHEMBL5401599 0.84 HCRTR2 (0.41) ALDH1A1SMN1; SMN2POLBHTR2CHTR2A
SCHEMBL5413750 0.84 CA2 (0.44) CA2ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL5398584 0.83 CA1 (0.43) CA2ALDH1A1SMN1; SMN2POLBHTR6
SCHEMBL5419133 0.82 PGR (0.41) CA2ALDH1A1HTTKMT2AHTR2C
SCHEMBL5410035 0.82 NPC1 (0.36) ALDH1A1SMN1; SMN2POLBHTR2CHTR2A
SCHEMBL5409943 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTR2CHTR2APSEN1
SCHEMBL5412394 0.81 CA1 (0.39) CA2ALDH1A1SMN1; SMN2HTR2CHTR2A
SCHEMBL5398387 0.80 KMT2A (0.50) CA2HTTSMN1; SMN2KMT2APOLB
SCHEMBL5406919 0.78 GAA (0.39) CA2ALDH1A1SMN1; SMN2POLBHTR2C

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