SCHEMBL13265819

SCHEMBL13265819

O=[N+]([O-])c1ccc(Oc2ccccc2S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ USP2 O75604 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PGR P06401 1/20 0.44
▸ GFER P55789 1/20 0.44

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
SCHEMBL14537709 0.82 HPGD (0.51) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL13265711 0.80 HPGD (0.50) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL13265822 0.79 LMNA (0.58) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL13265966 0.77 KMT2A (0.58) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL13265972 0.74 ALPL (0.65) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL12190245 0.74 MMP1 (0.54) MAPTMEN1KMT2AHPGDHSD17B10
SCHEMBL13265857 0.73 MAPT (0.54) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL16023929 0.73 ALDH1A1 (0.59) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13265815 0.73 AMY1A (0.54) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL13265971 0.72 L3MBTL1 (0.63) MAPTMEN1KMT2AALDH1A1PKM

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-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 — — US disclosed
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