SCHEMBL1585769

SCHEMBL1585769

CC(NC(=O)c1c(O)c2cc3ccc(S(C)(=O)=O)cc3n2n(C)c1=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 3/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GFER P55789 1/20 0.32
EGLN1 Q9GZT9 4/20 0.32
BBOX1 O75936 2/20 0.32
FTO Q9C0B1 1/20 0.32
PHGDH O43175 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
SCHEMBL1585770 1.00 ALDH1A1 (0.38) ALDH1A1CA2CA1AKR1C3AKR1C2
SCHEMBL1586384 0.86 L3MBTL1 (0.37) ALDH1A1L3MBTL1KDM4EHTTMEN1
SCHEMBL1586380 0.86 L3MBTL1 (0.37) ALDH1A1L3MBTL1KDM4EHTTMEN1
SCHEMBL1585887 0.83 L3MBTL1 (0.47) ALDH1A1L3MBTL1KDM4EHTTMEN1
SCHEMBL1585886 0.83 L3MBTL1 (0.47) ALDH1A1L3MBTL1KDM4EHTTMEN1
SCHEMBL1586535 0.83 HIF1A (0.46) EGLN1
SCHEMBL1586361 0.72 KDM4E (0.43) ALDH1A1L3MBTL1KDM4EHTTMEN1
SCHEMBL1586360 0.72 KDM4E (0.43) ALDH1A1L3MBTL1KDM4EHTTMEN1
SCHEMBL1586570 0.71 CNR2 (0.39) ALDH1A1L3MBTL1KDM4EHTTMEN1
SCHEMBL1586569 0.71 CNR2 (0.39) ALDH1A1L3MBTL1KDM4EHTTMEN1

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