SCHEMBL1817226

SCHEMBL1817226

COc1c[c]cnc1C#N

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP8 P40818 3/20 0.37
USP7 Q93009 3/20 0.37
HPGDS O60760 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 3/20 0.32
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PKM P14618 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL2067663 0.72
SCHEMBL2264178 0.72 KMT2A (0.32)
SCHEMBL67942 0.71
SCHEMBL11220986 0.71
SCHEMBL3051035 0.71
SCHEMBL18548654 0.71
SCHEMBL3070937 0.71
SCHEMBL3069997 0.71
SCHEMBL15157795 0.68
SCHEMBL1149414 0.68

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-2011057892-A1 2,3-DIHYDROBENZOXAZINE AND 2,3-DIHYDROBENZOTHIAZINE DERIVATES AS HIF-INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES ELARA PHARMACEUTICALS GMBH (DE) 2011-05-19 WO disclosed