SCHEMBL5404846

SCHEMBL5404846

Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 6/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CYP19A1 P11511 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CXCR5 P32302 1/20 0.39
APLNR P35414 1/20 0.39
RAB9A P51151 1/20 0.39
CCR6 P51684 1/20 0.39
GFER P55789 1/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 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
SCHEMBL5404325 0.91 KMT2A (0.46) KMT2AMEN1GAAHTTCYP19A1
SCHEMBL5412237 0.89 KMT2A (0.51) ACHEKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL5408836 0.86 TSHR (0.37) ACHEHSD17B10KMT2ACYP1A2CYP3A4
SCHEMBL5409057 0.85 HSD11B1 (0.39) KMT2ACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL5408529 0.85 TSHR (0.39) ACHEKMT2AMEN1GAAHTT
SCHEMBL3144525 0.82 CA12 (0.46) ACHEKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL2964104 0.82 CA12 (0.46) ACHEKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL2962482 0.80 GAA (0.45) ACHEKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL64189 0.80 CA12 (0.47) ACHEKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL7133269 0.80 CA12 (0.47) ACHEKMT2ACYP1A2CYP3A4CYP2C19

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