SCHEMBL6800482

SCHEMBL6800482

CN(C)S(=O)(=O)Oc1ccc(-c2ccc([N+](=O)[O-])cc2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
STS P08842 3/20 0.47
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
VCAM1 P19320 1/20 0.43
PTGS2 P35354 2/20 0.40
ALK Q9UM73 1/20 0.40
CA2 P00918 3/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CA12 O43570 2/20 0.39
PDE2A O00408 1/20 0.38
PDE5A O76074 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4667754 0.84 STS (0.67) LMNASTSCYP19A1ALDH1A1VCAM1
SCHEMBL4668707 0.81 XDH (0.52) LMNASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL6806229 0.79 SMN1; SMN2 (0.64) LMNASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL8140554 0.79 VCAM1 (0.60) LMNASMN1; SMN2ALDH1A1MEN1RAB9A
SCHEMBL14596896 0.78 SMN1; SMN2 (0.68) LMNASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL6798309 0.77 CYP19A1 (0.53) STSCYP19A1ALDH1A1HTTRAB9A
SCHEMBL9373575 0.77 VCAM1 (0.54) LMNASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL4667310 0.74 VCAM1 (0.54) LMNASMN1; SMN2CYP19A1ALDH1A1MEN1
SCHEMBL7023145 0.74 VCAM1 (0.57) LMNASMN1; SMN2ALDH1A1MEN1RAB9A
SCHEMBL4665389 0.72 STS (0.50) LMNASMN1; SMN2STSCYP19A1ALDH1A1

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