SCHEMBL11587176

SCHEMBL11587176

N#CC(C#N)=C1c2cc(Cl)cc(Cl)c2-c2c(Cl)cc(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 2/20 0.37
GAA P10253 1/20 0.37
HPRT1 P00492 1/20 0.36
GABRA1 P14867 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRB1 P18505 2/20 0.35
GABRB2 P47870 2/20 0.35
EGFR P00533 2/20 0.33
AHR P35869 1/20 0.33
HPGD P15428 1/20 0.33
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32

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
SCHEMBL11588457 0.88 PDK2 (0.39) IDO1ALDH1A1MAPTPKMGAA
SCHEMBL11586897 0.88 HPRT1 (0.43) ALDH1A1TSHRHSD17B10MAPTPKM
SCHEMBL7049360 0.75 EGFR (0.35) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL7043743 0.72 MEN1 (0.36) ALDH1A1MAPTEGFRAKR1C4AKR1C3
SCHEMBL8942751 0.69 GAA (0.41) IDO1ALDH1A1TSHRCYP3A4MAPT
SCHEMBL11587496 0.67 MAPT (0.36) IDO1ALDH1A1MAPTPKMGAA
SCHEMBL13301890 0.66 S100A4 (0.57) ALDH1A1MAPTPKMGAAHPRT1
SCHEMBL11586454 0.65 IDO1 (0.35) IDO1ALDH1A1MAPTPKMGAA
SCHEMBL14113263 0.64 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRB1GABRB2
SCHEMBL21917286 0.64 MAPT (0.43) IDO1ALDH1A1MAPTPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29554-E Organic photoconductive members comprising dicyanomethylene substituted fluorene sensitizers ADDRESSOGRAPH-MULTIGRAPH CORPORATION (US) 1978-02-28 US claimed
US-RE29554-E Organic photoconductive members comprising dicyanomethylene substituted fluorene sensitizers ADDRESSOGRAPH-MULTIGRAPH CORPORATION (US) 1978-02-28 US disclosed