SCHEMBL3712170

SCHEMBL3712170

COC(=O)c1cncc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PRMT6 Q96LA8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
KMT2A Q03164 1/20 0.46
CHKA P35790 1/20 0.46
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL3717690 0.89 HRH3 (0.44) MAPK1SMN1; SMN2HRH3
SCHEMBL3714232 0.87 HDAC1 (0.54) MMP2MMP8MMP13
SCHEMBL254974 0.84 MAPK1 (0.70) MAPK1SMN1; SMN2KMT2AMMP2MMP8
SCHEMBL3711052 0.83 MAPK1 (0.48) MAPK1SMN1; SMN2KMT2AMMP2MMP8
SCHEMBL3715041 0.81 HDAC1 (0.52) MAPK1SMN1; SMN2KMT2A
SCHEMBL3720699 0.81 MAPK1 (0.47) MAPK1SMN1; SMN2HRH3MMP2MMP8
SCHEMBL3717935 0.80 MAPK1 (0.50) MAPK1SMN1; SMN2KMT2AMMP2MMP8
SCHEMBL3711313 0.80 MAPK1 (0.49) MAPK1SMN1; SMN2KMT2AMMP2MMP8
SCHEMBL3713512 0.79 TBK1 (0.43) MAPK1SMN1; SMN2MMP2MMP8MMP13
SCHEMBL3711281 0.79 ABL1 (0.45) MAPK1SMN1; SMN2

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