SCHEMBL1810167

SCHEMBL1810167

COC(=O)c1ncc2c(sc3cnc(Cl)cc32)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.40
COMT P21964 1/20 0.36
LCK P06239 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
KDM4E B2RXH2 5/20 0.32
RCE1 Q9Y256 2/20 0.32
PKM P14618 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA4 P48169 1/20 0.32

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
SCHEMBL1811763 0.82 EGLN1 (0.43) EGLN1COMTLCKCCNCCDK8
SCHEMBL1808323 0.81 EGLN1 (0.42) EGLN1COMTLCKCCNCCDK8
SCHEMBL1810374 0.79 EGLN1 (0.43) EGLN1KMT2AKDM4C
SCHEMBL1810367 0.79 EGLN1 (0.43) EGLN1KMT2AKDM4C
SCHEMBL1810533 0.79 EGLN1 (0.67) EGLN1
SCHEMBL1810341 0.75 EGLN1 (0.40) EGLN1COMTLCKKDM4ERCE1
SCHEMBL1811663 0.74 EGLN1 (0.30) EGLN1
SCHEMBL1809247 0.72 KDM4E (0.47) EGLN1LCKKDM4EALDH1A1L3MBTL1
SCHEMBL1808127 0.72 HPGD (0.44) CCNCCDK8KDM4ERCE1ALDH1A1
SCHEMBL1974306 0.72 LCK (0.36) EGLN1COMTLCKKDM4EGABRA1

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-2011056725-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-05-12 WO disclosed