SCHEMBL4667771

SCHEMBL4667771

N#Cc1ccc(-c2ccc(OS(N)(=O)=O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.67
CA2 P00918 6/20 0.56
CA9 Q16790 6/20 0.56
CA1 P00915 5/20 0.56
VCAM1 P19320 2/20 0.46
CA12 O43570 2/20 0.45
CYP19A1 P11511 5/20 0.42
MERTK Q12866 1/20 0.41
MAPT P10636 1/20 0.40
KAT2B Q92831 1/20 0.39

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
SCHEMBL4667304 0.82 CA2 (0.65) STSCA2CA9CA1CA12
SCHEMBL4667731 0.82 VCAM1 (0.50) STSVCAM1MERTKMAPT
SCHEMBL27806615 0.81 VCAM1 (0.58) CA2CA9CA1VCAM1CA12
SCHEMBL4666114 0.80 STS (0.75) STSCA2CA9CA1CA12
SCHEMBL4667745 0.80 STS (1.00) STSCA2CA9CA1CA12
SCHEMBL27571950 0.78 CA2 (0.53) STSCA2CA9CA1CA12
SCHEMBL4667754 0.78 STS (0.67) STSCA2CA9CA1VCAM1
SCHEMBL4667326 0.77 ALDH1A1 (0.57) STSCA2CA9CA1CA12
SCHEMBL4667148 0.77 VCAM1 (0.54) CA2CA9VCAM1CA12MAPT
SCHEMBL1027644 0.77 VCAM1 (0.57) VCAM1CYP19A1MAPTKAT2B

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