SCHEMBL14419318

SCHEMBL14419318

Cc1cc(S(=O)(=O)c2nccs2)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ ABCC9 O60706 1/20 0.40
▸ ABCC8 Q09428 1/20 0.40
▸ KCNJ11 Q14654 1/20 0.40
▸ KCNJ8 Q15842 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ VCAM1 P19320 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ TXNRD1 Q16881 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ DNMT1 P26358 1/20 0.36

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
SCHEMBL14419319 0.79 ABCC9 (0.43) KMT2AMEN1ABCC9ABCC8KCNJ11
SCHEMBL4029409 0.77 ABCC9 (0.48) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8017713 0.77 KMT2A (0.62) KMT2AMEN1MAPTALDH1A1
SCHEMBL11046642 0.75 GAA (0.52) KMT2AMEN1ABCC9ABCC8KCNJ11
SCHEMBL14419314 0.73 TXNRD1 (0.57) KMT2AMEN1MAPTPAX8TSHR
SCHEMBL2478404 0.72 KMT2A (0.56) KMT2AMEN1ABCC9ABCC8KCNJ11
SCHEMBL6516381 0.71 MAPT (0.53) KMT2AMEN1MAPTTSHRHPGD
SCHEMBL14419317 0.70 FBP1 (0.42) KMT2AMEN1MAPTTSHRKDM4E
SCHEMBL11745901 0.70 TSHR (0.54) KMT2AMEN1MAPTTSHRKDM4E
SCHEMBL1828638 0.70 MAPT (0.51) MAPTTSHRVCAM1HPGDALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 — — US disclosed
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