SCHEMBL3099330

SCHEMBL3099330

Cn1cnnc1S(=O)(=O)CCN

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15203572 0.76 ALDH1A1 (0.45) ALDH1A1MAPTGAAKMT2A
SCHEMBL25280972 0.71 KMT2A (0.32) ALDH1A1MEN1GAAKMT2A
SCHEMBL23718250 0.71 ALDH1A1 (0.33) ALDH1A1MAPTHTTMEN1GAA
Hydrochloric Acid SCHEMBL4002551 0.70 LOXL2 (0.38) LOXL2HTT
SCHEMBL14486996 0.68 GAA (0.36) ALDH1A1HTTSMN1; SMN2MEN1GAA
SCHEMBL2392854 0.62
Bromide SCHEMBL11321511 0.62 CYP2C9 (0.38)
SCHEMBL23977166 0.58 LOXL2 (0.39) LOXL2ALDH1A1
SCHEMBL9601295 0.57 F13A1 (0.37)
SCHEMBL12075458 0.57 CA2 (0.59) ALDH1A1SMN1; SMN2MEN1GAAKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170876-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO LTD (KR) 2011-12-28 EP claimed
US-8518978-B2 Pharmaceutical composition for prevention and treatment of restenosis comprising isoxazole derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-27 US disclosed
EP-2170876-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO LTD (KR) 2011-12-28 EP disclosed
EP-2170876-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK Holdings Co., Ltd. (KR) 2010-04-07 EP disclosed
WO-2009005269-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO., LTD. (KR) 2009-01-08 WO disclosed