SCHEMBL4668707

SCHEMBL4668707

COc1ccc(-c2ccc([N+](=O)[O-])cc2C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.52
VCAM1 P19320 1/20 0.50
APP P05067 1/20 0.50
ALDH1A1 P00352 6/20 0.48
LMNA P02545 6/20 0.48
MAPT P10636 6/20 0.47
HTT P42858 4/20 0.47
MAPK1 P28482 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
NFKB1 P19838 1/20 0.47
STAT1 P42224 1/20 0.47
NPBWR1 P48145 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SAE1 Q9UBE0 1/20 0.47

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
SCHEMBL8140554 0.87 VCAM1 (0.60) XDHVCAM1APPALDH1A1LMNA
SCHEMBL9373575 0.84 VCAM1 (0.54) VCAM1ALDH1A1LMNAMAPTHTT
SCHEMBL30676035 0.84 MAPT (0.51) XDHVCAM1ALDH1A1LMNAMAPT
SCHEMBL26926327 0.84 MAPT (0.51) XDHVCAM1ALDH1A1LMNAMAPT
SCHEMBL30676063 0.83 CYP11B1 (0.49) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL26926329 0.83 CYP11B1 (0.49) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL4667754 0.82 STS (0.67) VCAM1ALDH1A1LMNA
SCHEMBL26926237 0.82 LMNA (0.47) XDHVCAM1ALDH1A1LMNAMAPT
SCHEMBL6800482 0.81 LMNA (0.47) XDHVCAM1ALDH1A1LMNAHTT
SCHEMBL4667310 0.81 VCAM1 (0.54) XDHVCAM1ALDH1A1LMNAMAPT

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
EP-1193250-B1 PHENYL SULFAMATE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2008-06-04 EP disclosed
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