SCHEMBL13639150

SCHEMBL13639150

O=C(O)c1csc(CCN2CCCC2=O)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
TSHR P16473 3/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL14464212 0.81 PTGER3 (0.47)
SCHEMBL12299096 0.73 PTGER2 (0.39) MMP1MMP2MMP9MMP13
SCHEMBL12330063 0.72 PTGER4 (0.40) MMP1MMP2MMP9MMP13
SCHEMBL3550329 0.71 L3MBTL1 (0.61) SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL1807775 0.70 HRH3 (0.59) MMP1MMP2MMP9MMP13KMT2A
SCHEMBL12298922 0.69 PTGER3 (0.40) POLBMMP1MMP2MMP9MMP13
SCHEMBL2215321 0.69 HRH3 (0.61) POLBMMP1MMP2MMP9MMP13
SCHEMBL14199640 0.69 ALDH1A1 (0.51) POLBKDM4CTSHRKMT2ASMN1; SMN2
SCHEMBL2142883 0.69 MMP1 (0.50) MMP1MMP2MMP9MMP13ALDH1A1
SCHEMBL28785165 0.69 MMP13 (0.54) MMP1MMP2MMP9MMP13ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481976-B1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2012-11-07 EP disclosed