SCHEMBL367137

SCHEMBL367137

N#CCOc1ccc2c(C(=O)OCc3cccc(Cl)c3)c3ccccc3n2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
GID4 Q8IVV7 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR4A2 P43354 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL365200 0.90 TP53 (0.40) ALOX5MMP1MMP2MMP9MMP12
SCHEMBL365618 0.90 L3MBTL1 (0.39) KDM4EMEN1ALDH1A1KMT2ATDP1
SCHEMBL365579 0.90 MAOB (0.38) MMP2MMP9MMP12KDM4EMEN1
SCHEMBL367136 0.86 KMT2A (0.52) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL364902 0.85 ALDH1A1 (0.40) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL365494 0.85 CASP3 (0.39) MMP1MMP2MMP9MMP12KDM4E
SCHEMBL364734 0.85 LMNA (0.40) MMP1MMP2MMP9MMP12KDM4E
SCHEMBL366340 0.83 MAOB (0.49) ALOX5GID4RXRARXRBRXRG
SCHEMBL364749 0.83 ESR1 (0.38) MMP1MMP2MMP9MMP12KDM4E
SCHEMBL365753 0.82 ALDH1A1 (0.35) KDM4EMEN1ALDH1A1HTTKMT2A

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed