SCHEMBL5403550

SCHEMBL5403550

CC(C)c1ccc([I+]c2ccc(C(C)C)cc2)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA12 O43570 5/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 5/20 0.43
CA3 P07451 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA7 P43166 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
CA5B Q9Y2D0 3/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
ACHE P22303 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL5409182 0.89 CYP19A1 (0.37) CA1CA2CA12CA9CA14
SCHEMBL5405401 0.85 KMT2A (0.50) CA1CA2CA12CA9CA5A
Toliodium SCHEMBL5405412 0.83 ACHE (0.58) CA1CA2CA12CA9CA14
SCHEMBL29364739 0.81 ACHE (0.48) CA1CA2CA12CA9CA3
SCHEMBL5408475 0.80 LMNA (0.43) CA1CA2CA12CA9MAPT
SCHEMBL2904040 0.80 MMP2 (0.48) CA1CA2CA12CA9CA14
SCHEMBL5400366 0.80 CA2 (0.50) CA1CA2CA12CA9CA14
SCHEMBL5398589 0.79 HSD11B1 (0.49) CA1CA2CA12CA9CA14
SCHEMBL5421255 0.79 ACHE (0.43) CA1CA2CA12CA9CA14
SCHEMBL254528 0.79 ALDH1A1 (0.56) MAPTALDH1A1KDM4ELMNAACHE

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