SCHEMBL3115604

SCHEMBL3115604

NC(=O)CCc1cnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.38
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
MPO P05164 2/20 0.30
NR4A2 P43354 1/20 0.30
RHEB Q15382 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2006030 0.74
SCHEMBL3062166 0.73
SCHEMBL2006032 0.73
SCHEMBL2008773 0.71
SCHEMBL17942079 0.69
SCHEMBL8773843 0.69
SCHEMBL2661351 0.69 USP2 (0.57) CAPN1EGFRSRCMPONR4A2
SCHEMBL9954227 0.69 HRH4 (0.57) KDM4E
SCHEMBL1995360 0.69
Hydrochloric Acid SCHEMBL17942051 0.68 HRH3 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170876-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK Holdings Co., Ltd. (KR) 2010-04-07 EP claimed
WO-2009005269-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO., LTD. (KR) 2009-01-08 WO claimed
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