SCHEMBL5398359

SCHEMBL5398359

CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.O=[N+]([O-])c1ccccc1S(=O)(=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.40
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
THRB P10828 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
SCHEMBL5416076 0.87 KMT2A (0.49) KMT2AMEN1PKMALDH1A1ACHE
SCHEMBL5408400 0.83 KMT2A (0.47) KMT2AMEN1PKMALDH1A1ACHE
SCHEMBL5416231 0.83 HSD11B1 (0.40) KMT2AALDH1A1LMNAHSD11B1
Toliodium SCHEMBL5422145 0.81 KMT2A (0.51) KMT2AMEN1ALDH1A1ACHELMNA
SCHEMBL5405434 0.81 KMT2A (0.45) KMT2AMEN1PKMALDH1A1ACHE
SCHEMBL5403666 0.81 KMT2A (0.58) KMT2AMEN1ALDH1A1ACHELMNA
Sulfuric Acid SCHEMBL2920577 0.79 NPC1 (0.41) ALDH1A1LMNAPOLB
SCHEMBL5405451 0.79 HSD11B1 (0.43) KMT2AMEN1ALDH1A1LMNAHSD11B1
SCHEMBL5404707 0.78 KMT2A (0.47) KMT2AMEN1PKMALDH1A1ACHE
SCHEMBL5400380 0.78 HSD11B1 (0.35) KMT2AMEN1ALDH1A1ACHELMNA

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