SCHEMBL1807741

SCHEMBL1807741

COC(=O)c1nc(Cl)c2c(sc3ncccc32)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.46
KDM4E B2RXH2 5/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.39
MAP2K1 Q02750 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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) EGLN1KDM4ENPSR1L3MBTL1SMN1; SMN2
SCHEMBL1810830 0.81 EGLN1 (0.46) EGLN1KDM4EL3MBTL1SMN1; SMN2ERCC1
SCHEMBL1808866 0.81 EGLN1 (0.71) EGLN1
SCHEMBL1809791 0.78 TP53 (0.47) EGLN1KDM4EKMT2ANPSR1CYP1A2
SCHEMBL3239918 0.76 KDM4E (0.51) KDM4EKMT2ATDP1GAAMAPT
SCHEMBL1811763 0.74 EGLN1 (0.43) EGLN1KDM4EKMT2ANPSR1GAA
SCHEMBL15931650 0.73 KDM4E (0.62) KDM4EKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL1270134 0.72 EGLN1 (0.62) EGLN1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL4134050 0.72 TP53 (0.64) KDM4EKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL2017928 0.71 EGLN1 (0.58) EGLN1KDM4ENPSR1GAAERCC1

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