SCHEMBL6806486

SCHEMBL6806486

N#CCc1ccc(NC(=O)c2ccc(OS(N)(=O)=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA2 P00918 15/20 0.54
CA1 P00915 14/20 0.54
CA9 Q16790 14/20 0.54
CA12 O43570 13/20 0.54
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ENPP1 P22413 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
SCHEMBL6806188 0.85 CA1 (0.68) SMN1; SMN2CA2CA1CA9CA12
SCHEMBL6795691 0.83 CA1 (0.78) KMT2AMEN1CA2CA1CA9
SCHEMBL6801137 0.79 CA1 (0.76) KMT2AMEN1SMN1; SMN2CA2CA1
SCHEMBL6793945 0.78 CA2 (0.72) KMT2AMEN1CA2CA1CA9
SCHEMBL4666101 0.78 STS (0.58) CA2CA1CA9
SCHEMBL6798469 0.78 STS (0.77) KMT2AMEN1ALDH1A1SMN1; SMN2CA2
SCHEMBL8185146 0.77 KMT2A (0.74) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL6800282 0.76 CA1 (0.67) KMT2AMEN1SMN1; SMN2CA2CA1
SCHEMBL6801257 0.75 STS (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2CA2
SCHEMBL6592666 0.75 KMT2A (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1

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