SCHEMBL3709976

SCHEMBL3709976

CCCCOC(=O)c1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)nc(NC(=O)Nc2cccc(OC)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNH2 Q12809 1/20 0.45
ACP1 P24666 3/20 0.42
MOK Q9UQ07 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
EPHX2 P34913 4/20 0.40
ALK Q9UM73 1/20 0.40
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 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
SCHEMBL3711204 0.88 TP53 (0.55) TP53NPC1LMNARAB9ASMN1; SMN2
SCHEMBL3715992 0.87 MAPK1 (0.43) LMNARAB9ASMN1; SMN2ACP1MOK
SCHEMBL3709357 0.86 ACP1 (0.53) SMN1; SMN2ACP1MOKALKKDM4E
SCHEMBL3711316 0.85 ALK (0.40) ALK
SCHEMBL3712000 0.85 MAPK1 (0.36) ACP1ALK
SCHEMBL3710995 0.84 L3MBTL1 (0.39) LMNARAB9ASMN1; SMN2ACP1MOK
SCHEMBL3721238 0.84 EPHX2 (0.42) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL3716971 0.83 ACP1 (0.39) ACP1ALK
SCHEMBL3715458 0.82 L3MBTL1 (0.37) LMNARAB9ASMN1; SMN2ALKMAPT
SCHEMBL13188445 0.80 HRH3 (0.41) LMNARAB9ASMN1; SMN2ACP1MOK

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