SCHEMBL5406930

SCHEMBL5406930

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)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
HSD11B1 P28845 7/20 0.42
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HTT P42858 3/20 0.37
HPGD P15428 1/20 0.37
ACHE P22303 2/20 0.37
NPBWR1 P48145 1/20 0.36
GALR3 O60755 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
ALOX5 P09917 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
SCHEMBL5398589 0.89 HSD11B1 (0.49) HSD11B1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5408366 0.88 KMT2A (0.50) HSD11B1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5400380 0.87 HSD11B1 (0.35) HSD11B1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL217706 0.85 ALDH1A1 (0.48) HSD11B1ALDH1A1KMT2AMEN1SMN1; SMN2
Toliodium SCHEMBL5408948 0.84 ACHE (0.46) ALDH1A1KMT2AMEN1LMNARAB9A
SCHEMBL8131241 0.82 ALDH1A1 (0.52) HSD11B1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5422143 0.81 KMT2A (0.45) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL5412307 0.81 HTT (0.41) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL5409182 0.81 CYP19A1 (0.37) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5409057 0.80 HSD11B1 (0.39) HSD11B1ALDH1A1KMT2AMEN1SMN1; SMN2

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