SCHEMBL4666173

SCHEMBL4666173

N#Cc1cc([N+](=O)[O-])ccc1-c1ccc(OS(N)(=O)=O)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.55
STS P08842 9/20 0.55
VCAM1 P19320 1/20 0.50
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PDE7A Q13946 1/20 0.39
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
PLA2G7 Q13093 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
SCHEMBL30676130 0.84 VCAM1 (0.55) VCAM1ALDH1A1LMNAPTGS1PTGS2
SCHEMBL26926315 0.84 VCAM1 (0.55) VCAM1ALDH1A1LMNAPTGS1PTGS2
SCHEMBL4667754 0.82 STS (0.67) CYP19A1STSVCAM1CA2CA1
SCHEMBL4667798 0.81 CA1 (0.54) CYP19A1STSCA2CA1CA9
SCHEMBL4665412 0.80 CYP19A1 (0.56) CYP19A1STSCA2PTGS1PTGS2
SCHEMBL4665389 0.80 STS (0.50) CYP19A1STSVCAM1CA2CA1
SCHEMBL30676035 0.75 MAPT (0.51) CYP19A1VCAM1ALDH1A1LMNAPTGS2
SCHEMBL26926327 0.75 MAPT (0.51) CYP19A1VCAM1ALDH1A1LMNAPTGS2
SCHEMBL8140554 0.75 VCAM1 (0.60) VCAM1ALDH1A1LMNAPTGS2
SCHEMBL4666136 0.74 CA1 (0.52) CYP19A1STSVCAM1CA2CA1

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