SCHEMBL5403552

SCHEMBL5403552

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
CA14 Q9ULX7 5/20 0.40
CA3 P07451 3/20 0.40
CA4 P22748 3/20 0.40
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA13 Q8N1Q1 3/20 0.40
CA5B Q9Y2D0 3/20 0.40

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
SCHEMBL5409187 0.89 CYP19A1 (0.38) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5405403 0.86 KMT2A (0.48) CYP19A1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6567326 0.84 ACHE (0.55) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL5408480 0.81 LMNA (0.41) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5421273 0.81 CA2 (0.41) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5398592 0.81 HSD11B1 (0.47) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL4653596 0.80 ACHE (0.49) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5422187 0.78 CA1 (0.40) ALDH1A1MAPTCA1CA2CA9
SCHEMBL5404710 0.77 KMT2A (0.45) CYP19A1ALDH1A1MEN1KMT2ACA1
SCHEMBL254528 0.76 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ANPC1

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