SCHEMBL4725291

SCHEMBL4725291

O=C(O)c1cc(Cl)c2[nH]c3c(c2c1)CCCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.50
MAPT P10636 8/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 3/20 0.47
ALOX15 P16050 2/20 0.47
TP53 P04637 2/20 0.47
IKBKB O14920 1/20 0.47
USP2 O75604 1/20 0.47
MAPK10 P53779 1/20 0.47
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL4726736 0.83 MAPT (0.46) GFERMAPTALDH1A1MEN1KMT2A
SCHEMBL7020838 0.78 AR (0.51) GFERMAPTALDH1A1MEN1KMT2A
SCHEMBL11742170 0.77 GFER (0.61) GFERMAPTALDH1A1MEN1KMT2A
SCHEMBL29643236 0.73 MAPT (0.70) GFERMAPTALDH1A1MEN1KMT2A
SCHEMBL1586929 0.73 MAPT (0.70) GFERMAPTALDH1A1MEN1KMT2A
SCHEMBL10738593 0.72 MAPT (0.68) GFERMAPTALDH1A1MEN1KMT2A
SCHEMBL9623152 0.71 GFER (0.48) GFERMAPTALDH1A1MEN1KMT2A
SCHEMBL4783201 0.71 MAPT (0.40) GFERMAPTALDH1A1MEN1KMT2A
SCHEMBL4029984 0.71 GFER (0.50) GFERMAPTALDH1A1MEN1KMT2A
SCHEMBL6691691 0.71 GFER (0.61) GFERMAPTALDH1A1MEN1KMT2A

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-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed