SCHEMBL5842776

SCHEMBL5842776

NC(=O)c1ccc(C(N)=O)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.52
CTRB1 P17538 1/20 0.48
GSTP1 P09211 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
AR P10275 2/20 0.46
LCK P06239 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PLAU P00749 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
ACMSD Q8TDX5 1/20 0.43
PLA2G2A P14555 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL30397343 1.00 CHEK2 (0.52) CHEK2CTRB1GSTP1SLC6A2SLC6A4
SCHEMBL30724665 0.88 CHEK2 (0.52) CHEK2CTRB1GSTP1SLC6A2SLC6A4
SCHEMBL31621279 0.83 SLC6A2 (0.64) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL31621280 0.83 SLC6A2 (0.64) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL22289582 0.83 CHEK2 (0.51) CHEK2CTRB1GSTP1ARLCK
SCHEMBL29400809 0.83 BCAT2 (0.47) CHEK2PLA2G2ABCAT2
SCHEMBL3265708 0.82 BCAT2 (0.63) CHEK2PLA2G2ABCAT2
SCHEMBL27898313 0.81 IKBKB (0.48) CHEK2ALDH1A1BCAT2
SCHEMBL22411056 0.80 CYP1A2 (0.51) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL5842542 0.79 ACMSD (0.55) GSTP1SLC6A2SLC6A4SLC6A3CES2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067229-B2 Conductive polymers substituted with acid labile functional groups for increasing electrical conductivity and patternability and composition having the same PARA LIMITED (KR) 2006-06-27 US disclosed
US-7064178-B2 Soluble self-orienting materials and conductive polymer compositions having the same PARA LIMITED (KR) 2006-06-20 US disclosed
US-20040166435-A1 Conductive polymers substituted with acid labile functional groups for increasing electrical conductivity and patternability and composition having the same PARA LIMITED (KR) 2004-08-26 US disclosed
US-20040162397-A1 Soluble self-orienting materials and conductive polymer compositons having the same PARA LIMITED (KR) 2004-08-19 US disclosed