SCHEMBL29548797

SCHEMBL29548797

Brc1ccc2ncn(C3COC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.42
PRMT5 O14744 2/20 0.38
FABP4 P15090 1/20 0.35
PRKCI P41743 2/20 0.35
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
HCAR1 Q9BXC0 1/20 0.34
GAA P10253 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
IKZF3 Q9UKT9 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL17678260 1.00 LRRK2 (0.42) LRRK2PRMT5FABP4PRKCIGLRA3
SCHEMBL17673642 0.85 HSD17B10 (0.42) FABP4PRKCIATMHSD17B10HCAR1
SCHEMBL13967316 0.85 HCAR1 (0.50) LRRK2PRMT5FABP4PRKCIHSD17B10
SCHEMBL31228863 0.83 GAA (0.50) ATMHSD17B10HCAR1GAAMEN1
SCHEMBL17678098 0.83 GAA (0.47) PRKCIATMHSD17B10HCAR1GAA
SCHEMBL15833538 0.81 LRRK2 (0.42) LRRK2PRMT5PRKCIGLRA3GLRB
SCHEMBL15833718 0.81 GAA (0.52) ATMHSD17B10MAPTHCAR1GAA
SCHEMBL15824855 0.81 PRKCI (0.51) PRMT5FABP4PRKCIHSD17B10MAPT
SCHEMBL31144588 0.81 GAA (0.52) ATMHSD17B10MAPTHCAR1GAA
SCHEMBL15823728 0.80 FABP4 (0.40) PRMT5FABP4PRKCIGLRA3GLRB

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
EP-3596051-B1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD (IN) 2022-04-27 EP disclosed