SCHEMBL1586570

SCHEMBL1586570

C[C@H](NC(=O)c1c(O)c2cc3c(n2n(C)c1=O)CCCC3)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.39
CNR1 P21554 6/20 0.39
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
EGLN1 Q9GZT9 3/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL1586569 1.00 CNR2 (0.39) CNR2CNR1ALDH1A1KDM4EHTT
SCHEMBL1589470 0.98 CNR2 (0.37) CNR2CNR1ALDH1A1KDM4EHTT
SCHEMBL1585700 0.87 CNR1 (0.35) CNR2CNR1ALDH1A1KDM4EHTT
SCHEMBL1585920 0.81 CNR1 (0.45) CNR2CNR1ALDH1A1KDM4EEGLN1
SCHEMBL1585754 0.79 EGLN1 (0.45) CNR2CNR1EGLN1
SCHEMBL1585887 0.76 L3MBTL1 (0.47) ALDH1A1KDM4EHTTL3MBTL1EGLN1
SCHEMBL1585886 0.76 L3MBTL1 (0.47) ALDH1A1KDM4EHTTL3MBTL1EGLN1
SCHEMBL1586380 0.75 L3MBTL1 (0.37) ALDH1A1KDM4EHTTL3MBTL1EGLN1
SCHEMBL1586384 0.75 L3MBTL1 (0.37) ALDH1A1KDM4EHTTL3MBTL1EGLN1
SCHEMBL1586128 0.73 TSHR (0.34) ALDH1A1KDM4EHTTL3MBTL1MAPT

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-2011048611-A1 NOVEL FUSED PYRIDAZINE DERIVATIVES TORRENT PHARMACEUTICALS LIMITED (IN) 2011-04-28 WO claimed