SCHEMBL6800282

SCHEMBL6800282

NS(=O)(=O)Oc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.67
CA2 P00918 6/20 0.67
CA9 Q16790 6/20 0.67
ENPP3 O14638 2/20 0.66
ENPP1 P22413 2/20 0.66
ENPP2 Q13822 1/20 0.66
TRPV1 Q8NER1 3/20 0.66
PTGS1 P23219 2/20 0.62
KIF11 P52732 1/20 0.61
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
RORC P51449 1/20 0.57
CA12 O43570 3/20 0.57
TRPV4 Q9HBA0 1/20 0.56
CA7 P43166 1/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54

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 0.90 CA1 (0.68) CA1CA2CA9NPC1RAB9A
SCHEMBL6801137 0.83 CA1 (0.76) CA1CA2CA9NPC1RAB9A
SCHEMBL6793945 0.82 CA2 (0.72) CA1CA2CA9ENPP3ENPP1
SCHEMBL6798469 0.82 STS (0.77) CA1CA2CA9NPC1RAB9A
SCHEMBL7513604 0.82 TRPV1 (0.83) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL9451383 0.82 CA2 (1.00) CA1CA2CA9KIF11KMT2A
SCHEMBL4043267 0.80 CA2 (0.96) CA1CA2CA9KIF11KMT2A
SCHEMBL6795691 0.80 CA1 (0.78) CA1CA2CA9NPC1RAB9A
SCHEMBL6798465 0.78 CA9 (0.78) CA1CA2CA9NPC1RAB9A
SCHEMBL17222457 0.77 NPC1 (0.59) CA1CA2ENPP3ENPP1ENPP2

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