SCHEMBL6806229

SCHEMBL6806229

CN(C)S(=O)(=O)Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
LMNA P02545 2/20 0.64
CA2 P00918 7/20 0.56
CA1 P00915 5/20 0.56
CA9 Q16790 5/20 0.56
ALDH1A1 P00352 5/20 0.52
HTT P42858 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
CA12 O43570 6/20 0.49
CA14 Q9ULX7 3/20 0.49
GAA P10253 1/20 0.47
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 1/20 0.46

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
SCHEMBL14596896 0.95 SMN1; SMN2 (0.68) SMN1; SMN2LMNACA2CA1CA9
SCHEMBL6800482 0.79 LMNA (0.47) SMN1; SMN2LMNACA2CA1CA9
SCHEMBL4667729 0.78 CA2 (0.89) CA2CA1CA9HTTCA12
SCHEMBL11266395 0.78 SMN1; SMN2 (0.51) SMN1; SMN2LMNACA2CA1CA9
SCHEMBL7046052 0.78 CA2 (0.59) SMN1; SMN2LMNACA2CA1CA9
SCHEMBL14596895 0.76 ALDH1A1 (0.60) SMN1; SMN2LMNACA2ALDH1A1HTT
SCHEMBL11704991 0.75 CA1 (0.67) SMN1; SMN2LMNACA2CA1CA9
SCHEMBL8690274 0.75 CA1 (0.67) SMN1; SMN2LMNACA2CA1CA9
SCHEMBL866410 0.75 CA1 (0.71) SMN1; SMN2LMNACA2CA1CA9
SCHEMBL28498472 0.74 CA1 (0.65) CA2CA1CA9ALDH1A1HTT

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