SCHEMBL5409187

SCHEMBL5409187

CC(C)c1ccc([I+](OS(=O)(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.38
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
CA2 P00918 3/20 0.33
CA5A P35218 2/20 0.33
PFKFB3 Q16875 1/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 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
SCHEMBL5403552 0.89 CYP19A1 (0.40) CYP19A1KMT2AMAPTALDH1A1MEN1
SCHEMBL5405403 0.89 KMT2A (0.48) CYP19A1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL5408954 0.85 ACHE (0.43) KMT2AMAPTALDH1A1MEN1RAB9A
SCHEMBL5412310 0.82 HTT (0.42) CYP19A1KMT2AMAPTALDH1A1MEN1
SCHEMBL5406934 0.82 HSD11B1 (0.40) KMT2AMAPTALDH1A1MEN1NPC1
SCHEMBL5415038 0.80 ALOX5 (0.40) CYP19A1MAPTHTTALOX5CA2
SCHEMBL5400383 0.78 POLB (0.35) CYP19A1KMT2AMAPTALDH1A1MEN1
SCHEMBL5422147 0.76 ALOX5 (0.39) KMT2AALDH1A1GAAHTTALOX5
SCHEMBL5408480 0.76 LMNA (0.41) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL5404710 0.75 KMT2A (0.45) CYP19A1KMT2AALDH1A1MEN1GAA

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