SCHEMBL9268502

SCHEMBL9268502

COC(=O)c1ccc2nc(/C=C/c3cccnc3)nc(NCCOCCO)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.43
EGFR P00533 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
FLT3 P36888 8/20 0.39
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CSNK2A1 P68400 2/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
GBA1 P04062 2/20 0.37
MAPT P10636 1/20 0.37
ABCG2 Q9UNQ0 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
SCHEMBL7606449 1.00 LATS1 (0.43) LATS1EGFRKDM4EGAAPKM
SCHEMBL7610909 0.87 FLT3 (0.50) LATS1FLT3
SCHEMBL7610903 0.87 FLT3 (0.50) LATS1FLT3
SCHEMBL7605608 0.85 FLT3 (0.49) FLT3
SCHEMBL7605601 0.85 FLT3 (0.49) FLT3
SCHEMBL7611890 0.84 ALDH1A1 (0.55) LATS1EGFRKDM4EGAAPKM
SCHEMBL7610184 0.83 GBA1 (0.50) LATS1KDM4EGAAPKMFLT3
SCHEMBL7610192 0.83 GBA1 (0.50) LATS1KDM4EGAAPKMFLT3
SCHEMBL7610422 0.82 LATS1 (0.42) LATS1FLT3GBA1
SCHEMBL7610427 0.82 LATS1 (0.42) LATS1FLT3GBA1

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
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed