SCHEMBL7909486

SCHEMBL7909486

CN(C)c1ccc(C=CC(C=Cc2ccc(N(C)C)cc2)=C(C#N)C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
APP P05067 6/20 0.54
RELA Q04206 1/20 0.47
MMP8 P22894 1/20 0.47
RAB9A P51151 3/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
TLR9 Q9NR96 1/20 0.46
PTGS1 P23219 1/20 0.46
NPC1 O15118 2/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HBB P68871 1/20 0.44

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
SCHEMBL7909482 1.00 HSD17B3 (0.56) HSD17B3KDM4EMAPTMEN1KMT2A
SCHEMBL8215763 0.85 HSD17B3 (0.54) HSD17B3KDM4EMAPTMEN1KMT2A
SCHEMBL8215757 0.85 HSD17B3 (0.54) HSD17B3KDM4EMAPTMEN1KMT2A
SCHEMBL6003631 0.77 KDM4E (0.53) HSD17B3KDM4EMAPTMEN1KMT2A
SCHEMBL6003635 0.77 KDM4E (0.53) HSD17B3KDM4EMAPTMEN1KMT2A
SCHEMBL6003482 0.74 MAPT (0.89) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL10053864 0.72 APP (0.88) HSD17B3KDM4EMAPTMEN1KMT2A
SCHEMBL6226940 0.72 APP (0.88) HSD17B3KDM4EMAPTMEN1KMT2A
SCHEMBL8215759 0.72 KDM4E (0.51) HSD17B3KDM4EMAPTMEN1KMT2A
SCHEMBL11144811 0.72 HSD17B3 (0.75) HSD17B3KDM4EMAPTMEN1KMT2A

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-6312914-B1 INDUCING MUTATATION OR CYTOTOXICITY IN A CELL; EXPOSE CELLS TO PROBES, LLUMINATE PROBE-CELL COMPLEX, DETECT LYSIS OR MUTATION IN CELLS ORASURE TECHNOLOGIES, INC. 2001-11-06 US disclosed