SCHEMBL5400380

SCHEMBL5400380

CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.35
POLB P06746 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL5405583 0.89 KMT2A (0.46) HTTKMT2AGAALMNAMAPK1
SCHEMBL5406930 0.87 HSD11B1 (0.42) HSD11B1HTTKMT2ANPC1RAB9A
SCHEMBL5412307 0.82 HTT (0.41) POLBHTTKMT2AGAALMNA
Toliodium SCHEMBL5408948 0.80 ACHE (0.46) HTTKMT2ARAB9AGAALMNA
SCHEMBL5415032 0.80 CA2 (0.42) POLBHTTKMT2AKCNH2GAA
SCHEMBL5412220 0.80 HDAC8 (0.36) NPC1RAB9ADRD2DRD3KCNH2
Sulfuric Acid SCHEMBL2920577 0.79 NPC1 (0.41) POLBNPC1RAB9ADRD2DRD3
SCHEMBL4868297 0.79 LMNA (0.39) HTTKMT2ANPC1RAB9ADRD2
SCHEMBL3753445 0.79 LMNA (0.39) HTTKMT2ANPC1RAB9ADRD2
SCHEMBL5412549 0.78 CA1 (0.38) KMT2ANPC1RAB9ADRD2DRD3

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