SCHEMBL4756572

SCHEMBL4756572

Nc1nc2ccc(C(=O)O)cc2c(=O)n1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ HPD P32754 7/20 0.43
▸ CDH1 P12830 1/20 0.41
▸ APC P25054 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ TCF7L2 Q9NQB0 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HDAC3 O15379 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
SCHEMBL4755109 0.81 SMN1; SMN2 (0.44) —
SCHEMBL4753206 0.80 MAPK1 (0.45) HPDMAPK1NPSR1L3MBTL1
SCHEMBL4756570 0.77 ALDH1A1 (0.50) MAPK1KDM4E
SCHEMBL4756548 0.76 GAA (0.46) HPDKDM4E
SCHEMBL4756539 0.72 PTGFR (0.41) PDE4DHPDMAPK1KDM4E
SCHEMBL9954526 0.69 POLB (0.54) —
SCHEMBL23757410 0.68 TSHR (0.47) TTRALBMAOACNR1DRD1
SCHEMBL30024773 0.68 TSHR (0.47) TTRALBMAOACNR1DRD1
SCHEMBL18950565 0.67 HSD17B10 (0.70) RXRAKDM4EL3MBTL1
SCHEMBL9953980 0.67 ATM (0.51) KDM4EL3MBTL1

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
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 — — WO claimed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 — — WO disclosed
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