SCHEMBL4029160

SCHEMBL4029160

O=C(O)c1ccc2[nH]c3c(c2c1Cl)CCCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.47
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
MET P08581 3/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CASP6 P55212 1/20 0.38
EGFR P00533 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
TP53 P04637 2/20 0.37
CASP1 P29466 2/20 0.37
THRB P10828 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL6755332 0.84 GFER (0.48) GFERKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL4025604 0.83 MAPT (0.43) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2485381 0.79 GFER (0.60) GFERKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL11732994 0.77 GFER (0.57) GFERKDM4EALDH1A1MAPTHSD17B10
SCHEMBL7460360 0.76 MEN1 (0.46) GFERKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL5017970 0.73 MAPT (0.42) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5026464 0.72 AR (0.52) GFERKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL2804474 0.72 GFER (0.44) GFERKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL29415431 0.72 GFER (0.44) GFERKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL11742569 0.72 GFER (0.58) GFERKDM4EALDH1A1MAPTHSD17B10

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-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed