SCHEMBL7915957

SCHEMBL7915957

C=C(OC)c1ccc2cccc(-c3ccc(F)c(C)n3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B14 Q9BPX1 3/20 0.35
PLAU P00749 2/20 0.34
TGFBR1 P36897 11/20 0.34
AR P10275 2/20 0.32
TGFBR2 P37173 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
F2 P00734 1/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
KLK1 P06870 1/20 0.31
PRSS1 P07477 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL16502671 0.86 KDM4E (0.44) KDM4EALDH1A1HPGDPLAUTGFBR1
SCHEMBL16502696 0.81 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B14TGFBR1
SCHEMBL7919038 0.80 PLAU (0.36) KDM4EHSD17B14PLAUF2PLG
SCHEMBL7920004 0.79 PLAU (0.34) ALDH1A1PLAUF2PLGPLAT
SCHEMBL7917796 0.79 PLAU (0.35) ALDH1A1PLAUF2PLGPLAT
SCHEMBL7914783 0.78 GABRG2 (0.34) KDM4EALDH1A1HPGDPLAU
SCHEMBL7908906 0.78 PLAU (0.34) ALDH1A1PLAUF2PLGPLAT
SCHEMBL7916552 0.77 PLAU (0.34) PLAUF2PLGPLATKLK1
SCHEMBL7916572 0.76 HSD17B14 (0.37) HSD17B14PLAU
SCHEMBL7918428 0.76 SLC6A4 (0.40) KDM4EALDH1A1HPGDPLAUF2

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-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO disclosed