SCHEMBL5409057

SCHEMBL5409057

CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.39
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 3/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 2/20 0.36
GLA P06280 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL5404820 0.90 KMT2A (0.48) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5404325 0.88 KMT2A (0.46) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL5404846 0.85 ACHE (0.42) ALDH1A1KMT2AMEN1RAB9ALMNA
SCHEMBL451538 0.82 ALDH1A1 (0.46) HSD11B1ALDH1A1NPC1RAB9ALMNA
SCHEMBL5445839 0.80 ALDH1A1 (0.47) HSD11B1ALDH1A1NPC1RAB9ALMNA
SCHEMBL218154 0.80 ALDH1A1 (0.50) HSD11B1ALDH1A1KMT2AMEN1NPC1
SCHEMBL5406930 0.80 HSD11B1 (0.42) HSD11B1ALDH1A1KMT2AMEN1NPC1
SCHEMBL5414893 0.79 HSD11B1 (0.40) HSD11B1ALDH1A1NPC1RAB9AMAPT
SCHEMBL7578509 0.79 ALDH1A1 (0.44) HSD11B1ALDH1A1NPC1RAB9AMAPT
SCHEMBL7741655 0.78 NR3C2 (0.50) HSD11B1ALDH1A1NPC1RAB9ALMNA

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