SCHEMBL365750

SCHEMBL365750

COC(=O)c1c2ccccc2n2cc(C(=O)NCCO)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
EGFR P00533 2/20 0.45
SRC P12931 2/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR4A2 P43354 2/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL364296 0.91 ALDH1A1 (0.49) LMNAEGFRSRCKDM4EALDH1A1
SCHEMBL361357 0.88 EGFR (0.51) EGFRSRCKDM4EALDH1A1HPGD
SCHEMBL365909 0.87 LMNA (0.45) POLBLMNAEGFRSRCKDM4E
SCHEMBL366390 0.85 ALDH1A1 (0.45) POLBLMNAEGFRSRCKDM4E
Potassium Ion SCHEMBL367741 0.85 LMNA (0.44) POLBLMNAKDM4EALDH1A1HPGD
SCHEMBL364265 0.84 NR4A2 (0.46) POLBLMNAEGFRSRCKDM4E
SCHEMBL364927 0.84 SRC (0.51) POLBLMNAEGFRSRCKDM4E
SCHEMBL366488 0.83 NR4A2 (0.45) POLBLMNAEGFRSRCKDM4E
SCHEMBL366338 0.83 NR4A2 (0.45) POLBLMNAEGFRSRCKDM4E
SCHEMBL366141 0.82 NR4A2 (0.44) POLBLMNAEGFRSRCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed