SCHEMBL5408529

SCHEMBL5408529

Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.O=[N+]([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
ACHE P22303 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
ALOX5 P09917 3/20 0.35
PTGS2 P35354 2/20 0.35
MAPK1 P28482 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL5410023 0.90 KMT2A (0.48) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL5404846 0.85 ACHE (0.42) TSHRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5408836 0.85 TSHR (0.37) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL5404325 0.85 KMT2A (0.46) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL58785 0.83 FFAR4 (0.46) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2512387 0.82 RAPGEF4 (0.45) ALDH1A1SMN1; SMN2KDM4EGAAHTT
SCHEMBL5066003 0.80 FFAR4 (0.41) MAPTALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL3190654 0.79 FFAR4 (0.47) TSHRKMT2ASMN1; SMN2GAAFFAR4
SCHEMBL6282642 0.79 FFAR4 (0.47) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL5405540 0.77 MAPT (0.40) TSHRKMT2AMEN1MAPTGAA

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 5 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-6949329-B2 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2005-09-27 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
US-20030017425-A1 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2003-01-23 US disclosed