SCHEMBL805476

SCHEMBL805476

COC(=O)C1=CCC(N)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.37
KCNH2 Q12809 1/20 0.34
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32
XDH P47989 1/20 0.32
GFER P55789 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
FUT7 Q11130 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM3 P20309 2/20 0.32
PTPN1 P18031 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
THRB P10828 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
SCHEMBL19562134 0.81 LMNA (0.38) LMNAKDM4EGAANFKB1NFKB2
SCHEMBL13720079 0.80 KCNH2 (0.35) GABRR1KCNH2LMNATDP1KDM4E
SCHEMBL11886079 0.80 KCNH2 (0.35) GABRR1KCNH2LMNATDP1KDM4E
SCHEMBL8215661 0.79 GABRR1 (0.31) GABRR1
SCHEMBL13370110 0.79 ALDH1A1 (0.37) GABRR1LMNAMAPTALDH1A1TSHR
SCHEMBL17683049 0.79 KCNH2 (0.34) GABRR1KCNH2LMNATDP1KDM4E
SCHEMBL23280320 0.77 ALDH1A1 (0.33) KCNH2LMNATDP1KDM4EPOLB
SCHEMBL11886388 0.77 KCNH2 (0.36) KCNH2LMNATDP1KDM4EPOLB
SCHEMBL12491666 0.77 KCNH2 (0.33) KCNH2LMNATDP1KDM4EPOLB
SCHEMBL13716647 0.77 GABRR1 (0.39) GABRR1TDP1THRBHSD17B10TSHR

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-20120070689-A1 Coatings and Hard Mask Compositions for Integrated Circuit Applications, Methods of Production and Uses Thereof KENNEDY JOSEPH TRAVIS (US) 2012-03-22 US disclosed