SCHEMBL4756548

SCHEMBL4756548

CC(=O)Nc1cccc(-n2c(N)nc3ccc(C(=O)O)cc3c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
POLB P06746 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NSD2 O96028 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPD P32754 5/20 0.41
MAP4K4 O95819 1/20 0.40
CREBBP Q92793 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4756539 0.81 PTGFR (0.41) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4756572 0.76 TTR (0.43) KDM4EHPD
SCHEMBL4753206 0.74 MAPK1 (0.45) MEN1MAPTKMT2AHPD
SCHEMBL4755109 0.73 SMN1; SMN2 (0.44) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL4756570 0.72 ALDH1A1 (0.50) POLBALDH1A1KDM4EMEN1MAPT
SCHEMBL4503339 0.69 NPC1 (0.70) NPC1ALDH1A1MAPTRAB9A
SCHEMBL31022695 0.69 MEN1 (0.62) NPC1ALDH1A1MEN1MAPTKMT2A
SCHEMBL758991 0.69 MEN1 (0.62) NPC1ALDH1A1MEN1MAPTKMT2A
SCHEMBL25078424 0.69 GAA (0.51) GAAPOLBNPC1ALDH1A1CREBBP
SCHEMBL16755418 0.68 NPC1 (0.48) POLBNPC1ALDH1A1KDM4EMAPT

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