SCHEMBL1810341

SCHEMBL1810341

COC(=O)c1ncc2c(sc3c(Cl)nccc32)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.40
LCK P06239 1/20 0.35
ATR Q13535 1/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
RCE1 Q9Y256 2/20 0.34
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
NCOA1 Q15788 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PKM P14618 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33

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
SCHEMBL1817092 0.82 EGLN1 (0.43) EGLN1ATRKDM4EALDH1A1RCE1
SCHEMBL1809791 0.76 TP53 (0.47) EGLN1KDM4EGAAHPGDL3MBTL1
SCHEMBL1810167 0.75 EGLN1 (0.40) EGLN1LCKKDM4EALDH1A1RCE1
SCHEMBL31636581 0.73 KDM4E (0.40) LCKKDM4EALDH1A1GAAHTT
SCHEMBL1809247 0.72 KDM4E (0.47) EGLN1LCKKDM4EALDH1A1L3MBTL1
SCHEMBL1811979 0.72 HPGD (0.44) ATRKDM4EALDH1A1RCE1GAA
SCHEMBL1974306 0.72 LCK (0.36) EGLN1LCKKDM4EALDH1A1HPGD
SCHEMBL7846101 0.71 KDM4E (0.56) KDM4EALDH1A1RCE1GAAGLA
SCHEMBL23580382 0.70 NR4A2 (0.43) EGLN1LCKKDM4EALDH1A1GAA
SCHEMBL1816427 0.69 EGLN1 (0.46) EGLN1KDM4ESMN1; SMN2TDP1

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