SCHEMBL15833718

SCHEMBL15833718

Brc1ccc2ncn(C3CCCCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HCAR1 Q9BXC0 5/20 0.48
ATM Q13315 1/20 0.46
ALDH1A1 P00352 6/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
FLT3 P36888 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL31144588 1.00 GAA (0.52) GAAHSD17B10HCAR1ATMALDH1A1
SCHEMBL31228863 0.98 GAA (0.50) GAAHSD17B10HCAR1ATMALDH1A1
SCHEMBL17678098 0.95 GAA (0.47) GAAHSD17B10HCAR1ATMALDH1A1
SCHEMBL17673642 0.92 HSD17B10 (0.42) GAAHSD17B10HCAR1ATMALDH1A1
SCHEMBL15288726 0.89 GAA (0.61) GAAHSD17B10HCAR1ALDH1A1TP53
SCHEMBL2943825 0.87 GAA (0.58) GAAHSD17B10HCAR1ALDH1A1TP53
SCHEMBL19689454 0.85 PIK3CD (0.42) GAAHSD17B10HCAR1ATMALDH1A1
SCHEMBL15825750 0.85 PRKCI (0.53) GAAHSD17B10HCAR1HTTJAK2
SCHEMBL15206029 0.85 HCAR1 (0.50) GAAHSD17B10HCAR1ATMALDH1A1
SCHEMBL15205616 0.85 DDB1 (0.43) GAAHSD17B10HCAR1ALDH1A1TP53

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-2014100695-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed