SCHEMBL4764978

SCHEMBL4764978

Cc1cnc(CCC(N)=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.36
MMP2 P08253 1/20 0.34
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
CXCR4 P61073 1/20 0.32
RAB9A P51151 2/20 0.32
IDO1 P14902 1/20 0.32
TP53 P04637 1/20 0.32
KLF5 Q13887 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FDPS P14324 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL4765262 0.81 HTT (0.40) CXCR4RAB9APOLBALDH1A1
SCHEMBL14037700 0.72
SCHEMBL9369063 0.72 HRH1 (0.42) HRH1HRH4
SCHEMBL13680966 0.70 POLB (0.32) POLB
SCHEMBL16177862 0.70
SCHEMBL16136259 0.68 KDM4E (0.45) CXCR4ALDH1A1
SCHEMBL4766858 0.68 CAPN1 (0.40) CAPN1RAB9ATP53KLF5SMN1; SMN2
SCHEMBL2282179 0.68
SCHEMBL279674 0.67
SCHEMBL2787115 0.67 TBXAS1 (0.57) CAPN1SMN1; SMN2FDPSHRH4

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
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed