SCHEMBL14259191

SCHEMBL14259191

CCCN1/C(=C/C=C/C=C2C(=O)N(c3cccc(N)c3)C(=S)N(c3cccc(N)c3)C2=O)C(C)(C)c2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA1 P30542 3/20 0.34
POLB P06746 1/20 0.33
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
PTPN1 P18031 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KIFC1 Q9BW19 1/20 0.30

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
SCHEMBL14259006 0.91 MEN1 (0.40) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL14259057 0.91 MEN1 (0.34) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL14258968 0.87 ADORA1 (0.37) L3MBTL1ADORA1POLBOPRM1OPRK1
SCHEMBL14259083 0.86 KMT2A (0.35) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL14258993 0.84 MEN1 (0.39) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL14259003 0.82 ADORA1 (0.34) ADORA1OPRM1OPRK1CHRM1KIFC1
SCHEMBL14258994 0.82 ADORA1 (0.34) ADORA1OPRM1OPRK1CHRM1KIFC1
SCHEMBL14258991 0.81 MAPT (0.39) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL14259062 0.80 ADORA1 (0.35) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL14259195 0.78 CHRM1 (0.38) ADORA1OPRM1OPRK1CHRM1KIFC1

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-2008027075-A2 SULFHYDRYL-REACTIVE, WATER SOLUBLE DYES THE SCRIPPS RESEARCH INSTITUTE (US) 2008-03-06 WO disclosed