SCHEMBL9741963

SCHEMBL9741963

COc1ccc2c(c1)[nH]c(=O)c(=O)n2C(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.43
CASR P41180 4/20 0.41
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL9741587 0.85 MAOB (0.41) CASRMAPTHSD17B10POLBALDH1A1
SCHEMBL7445525 0.85 POLB (0.57) KDM4EGAACASRMAPTHSD17B10
SCHEMBL9395591 0.80 GRIA1 (0.53) KDM4EGAAMAPTHSD17B10TP53
SCHEMBL9364677 0.79 KDM4E (0.46) KDM4EGAAMAPTHSD17B10TP53
SCHEMBL31236070 0.74 POLB (0.69) KDM4EHSD17B10POLBALDH1A1HPGD
SCHEMBL7282502 0.74 POLB (0.69) KDM4EHSD17B10POLBALDH1A1HPGD
SCHEMBL30930127 0.73 MAOB (0.64) KDM4EMAPTHSD17B10POLBALDH1A1
SCHEMBL7367213 0.73 MAOB (0.64) KDM4EMAPTHSD17B10POLBALDH1A1
SCHEMBL22292503 0.72 GRIA1 (0.63) KDM4EMAPTHSD17B10ALDH1A1THRB
SCHEMBL9395728 0.71 GRIA1 (0.53) KDM4EGAAMAPTHSD17B10POLB

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-1992004350-A1 OXYGENATED QUINOXALINES THE UPJOHN COMPANY (US) 1992-03-19 WO disclosed