SCHEMBL19209436

SCHEMBL19209436

CCOC(=O)CCc1cc(OC)ccc1-c1ccc(-c2cccnc2)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.46
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
CASP1 P29466 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP7 P55210 1/20 0.43
KLK7 P49862 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
GLA P06280 2/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CCNC P24863 1/20 0.41

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
SCHEMBL19209478 0.89 XDH (0.48) XDHKDM4EPOLBNPSR1RXFP1
SCHEMBL19209500 0.88 XDH (0.46) XDHKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL1889329 0.88 CYP11B2 (0.49) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1818457 0.87 CYP4F2 (0.46) KDM4EHSD17B10ALDH1A1HPGDCYP11B1
SCHEMBL1815801 0.86 CYP11B2 (0.43) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1818710 0.84 CYP11B2 (0.42) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL19257720 0.84 XDH (0.42) XDHKDM4EHSD17B10MEN1KMT2A
SCHEMBL19209422 0.84 XDH (0.48) XDHKDM4EHSD17B10MEN1KMT2A
SCHEMBL1812968 0.84 CYP11B2 (0.41) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL19209475 0.83 XDH (0.41) XDHKDM4EHSD17B10MEN1KMT2A

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
WO-2017134146-A1 GPBP INHIBITORS AND USES AND SCALEABLE SYNTHESIS THEREOF FIBROSTATIN, S.L. (ES) 2017-08-10 WO disclosed