SCHEMBL7826546

SCHEMBL7826546

O=C(O)c1cnc2c(c1)C(=O)C=CC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.40
CDC25B P30305 1/20 0.40
MGAM O43451 1/20 0.40
P4HA1 P13674 3/20 0.38
P4HTM Q9NXG6 2/20 0.38
MIF P14174 1/20 0.37
HCAR2 Q8TDS4 4/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL29040286 0.79 TTR (0.46) MGAMP4HA1P4HTMMIFHCAR2
SCHEMBL7177717 0.77 CYP2C9 (0.49) ALDH1A1KMT2AGABRPGABRDGABRA1
SCHEMBL2805204 0.73 MGAM (0.42) MGAMP4HA1P4HTMMIFHCAR2
SCHEMBL4678205 0.69 AKT1 (0.54) MGAMP4HA1P4HTMALDH1A1KDM4E
SCHEMBL9165999 0.68 TTR (0.57) CDC25BKDM4EPOLBMEN1KMT2A
SCHEMBL29738149 0.67 MGAM (0.37) MGAMP4HA1P4HTMMIFHCAR2
SCHEMBL3189213 0.66 KDM4C (0.57) MGAMP4HA1P4HTMKDM4EKMT2A
SCHEMBL27368640 0.65 PTPRC (0.56) CDC25BKDM4EPOLBMEN1KMT2A
SCHEMBL3555321 0.64 S100A4 (0.44) S100A4CDC25BHCAR2ALDH1A1KDM4E
SCHEMBL31058237 0.64 PSMD14 (0.64) MGAMP4HA1P4HTMMIFHCAR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161432-A1 PHARMACEUTICAL COMPOSITION BASED ON POLYAROMATIC COMPOUNDS LABORATOIRE L. LAFON (FR) 2001-12-12 EP disclosed
WO-2000055160-A1 PHARMACEUTICAL COMPOSITION BASED ON POLYAROMATIC COMPOUNDS LABORATOIRE L. LAFON (FR) 2000-09-21 WO disclosed