SCHEMBL3709302

SCHEMBL3709302

CCCCOC(=O)c1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)nc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.44
TLR7 Q9NYK1 3/20 0.41
PARP1 P09874 1/20 0.41
JAK2 O60674 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 1/20 0.40
ACP1 P24666 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3715918 0.88 MAPK1 (0.45) BCHEMAOAACHEMAOBPARP1
SCHEMBL3715992 0.85 MAPK1 (0.43) JAK2L3MBTL1ACP1TSHRRAB9A
SCHEMBL3709357 0.84 ACP1 (0.53) PTGS2ACP1TSHRSMN1; SMN2
SCHEMBL3721164 0.84 PARP1 (0.47) BCHEMAOAACHEMAOBPARP1
SCHEMBL3711316 0.84 ALK (0.40) L3MBTL1
SCHEMBL3710995 0.82 L3MBTL1 (0.39) JAK2L3MBTL1ACP1TSHRRAB9A
SCHEMBL3721238 0.82 EPHX2 (0.42) L3MBTL1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3716618 0.81 MMP2 (0.48)
SCHEMBL3715458 0.81 L3MBTL1 (0.37) JAK2L3MBTL1TSHRRAB9ASMN1; SMN2
SCHEMBL3712000 0.80 MAPK1 (0.36) JAK2L3MBTL1ACP1

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-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed