SCHEMBL2015417

SCHEMBL2015417

COC(=O)c1ncc2ccccc2c1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.43
KDM4E B2RXH2 3/20 0.43
STAT3 P40763 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39

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
SCHEMBL15549349 0.81 EGLN2 (0.53)
SCHEMBL15268696 0.81 EGLN1 (0.55)
SCHEMBL6060578 0.81 EGLN2 (0.52) L3MBTL1LMNACYP1A2MAPK1
SCHEMBL28007224 0.80 MAOA (0.52) HIF1AKDM4ESTAT3GABRA1GABRG2
SCHEMBL8883145 0.79 KDM4E (0.50) HIF1AKDM4ESTAT3NPC1GABRA1
SCHEMBL2016548 0.78 MAPK1 (0.50) KDM4EL3MBTL1ALDH1A1HPGDMAPT
SCHEMBL15547987 0.77 MEN1 (0.43) KDM4EL3MBTL1TDP1NPSR1LMNA
SCHEMBL15548046 0.77 EGLN2 (0.53)
SCHEMBL15547489 0.77 EGLN2 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15548217 0.76 CYP1A2 (0.41) KDM4EL3MBTL1TDP1NPSR1CYP1A2

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed