SCHEMBL8215757

SCHEMBL8215757

CC(C#N)=C(/C=C/c1ccc(N(C)C)cc1)/C=C/c1ccc(N(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 4/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
APP P05067 6/20 0.53
RELA Q04206 1/20 0.46
MMP8 P22894 1/20 0.46
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
TLR9 Q9NR96 1/20 0.45
PTGS1 P23219 1/20 0.45
TYR P14679 1/20 0.44
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL8215763 1.00 HSD17B3 (0.54) HSD17B3KDM4EMAPTALDH1A1MEN1
SCHEMBL7909486 0.85 HSD17B3 (0.56) HSD17B3KDM4EMAPTALDH1A1MEN1
SCHEMBL7909482 0.85 HSD17B3 (0.56) HSD17B3KDM4EMAPTALDH1A1MEN1
SCHEMBL1404410 0.79 GLA (0.52) KDM4EMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL13193947 0.73 APP (0.65) HSD17B3KDM4EMAPTALDH1A1MEN1
SCHEMBL3732489 0.73 HSD17B3 (0.75) HSD17B3MAPTALDH1A1MEN1KMT2A
SCHEMBL2029091 0.73 HSD17B3 (0.75) HSD17B3MAPTALDH1A1MEN1KMT2A
SCHEMBL6003482 0.72 MAPT (0.89) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL28543075 0.72 HSD17B3 (0.62) HSD17B3KDM4EMAPTALDH1A1MEN1
SCHEMBL10053864 0.71 APP (0.88) HSD17B3KDM4EMAPTALDH1A1MEN1

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
US-6159686-A Up-converting reporters for biological and other assays SRI INTERNATIONAL (US) 2000-12-12 US disclosed