SCHEMBL6801027

SCHEMBL6801027

O=[N+]([O-])c1cc(O)ccc1-c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
ESR2 Q92731 6/20 0.51
ESR1 P03372 5/20 0.51
AR P10275 1/20 0.49
ABCB1 P08183 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.43
LMNA P02545 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.43
PSMD14 O00487 1/20 0.43
PRKACA P17612 1/20 0.43
CASP6 P55212 1/20 0.43
KMT2A Q03164 1/20 0.43
BACE1 P56817 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42

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
SCHEMBL99637 0.89 ALDH1A1 (0.61) MAPTESR2ESR1ARABCB1
SCHEMBL29950169 0.88 ESR1 (0.57) MAPTESR2ESR1ARHSD17B10
SCHEMBL6796101 0.88 ESR1 (0.57) MAPTESR2ESR1ARHSD17B10
SCHEMBL4667166 0.87 ALDH1A1 (0.58) MAPTALDH1A1TDP1CA12LMNA
SCHEMBL13982830 0.86 MAPT (0.53) MAPTESR2ESR1ALDH1A1LMNA
SCHEMBL12722617 0.86 TSHR (0.55) MAPTESR2ESR1ARABCB1
SCHEMBL29484216 0.86 MAPT (0.71) MAPTESR2ESR1ARABCB1
SCHEMBL28244181 0.86 ALDH1A1 (0.56) MAPTALDH1A1TDP1CA12LMNA
SCHEMBL4667148 0.85 VCAM1 (0.54) MAPTESR2ESR1ARABCB1
SCHEMBL6910913 0.84 MAPT (0.51) MAPTESR2ESR1ARABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed