SCHEMBL3711052

SCHEMBL3711052

COC(=O)c1cnc(F)c(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BDKRB1 P46663 1/20 0.46
KMT2A Q03164 1/20 0.45
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL13188651 0.93 SMN1; SMN2 (0.53) MAPK1SMN1; SMN2BDKRB1KMT2A
SCHEMBL3709590 0.91 HIF1A (0.43) MAPK1SMN1; SMN2BDKRB1
SCHEMBL3714327 0.86 KMT2A (0.50) MAPK1SMN1; SMN2BDKRB1KMT2A
SCHEMBL3712170 0.83 MAPK1 (0.52) MAPK1SMN1; SMN2KMT2AMMP2MMP8
SCHEMBL254974 0.81 MAPK1 (0.70) MAPK1SMN1; SMN2KMT2AMMP2MMP8
SCHEMBL3715041 0.80 HDAC1 (0.52) MAPK1SMN1; SMN2KMT2A
SCHEMBL13188642 0.79 KMT2A (0.54) MAPK1SMN1; SMN2BDKRB1KMT2A
SCHEMBL3715178 0.78 KMT2A (0.49) KMT2AMMP2MMP8MMP13
SCHEMBL3720699 0.78 MAPK1 (0.47) MAPK1SMN1; SMN2MMP2MMP8MMP13
SCHEMBL3717935 0.77 MAPK1 (0.50) MAPK1SMN1; SMN2KMT2AMMP2MMP8

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 1 patent. 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