SCHEMBL3715035

SCHEMBL3715035

COC(=O)c1cc(OC)nc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
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
SCHEMBL13187729 0.93 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1TSHRHIF1AEPAS1
SCHEMBL3709758 0.91 HDAC3 (0.47) MMP2MMP8MMP13
SCHEMBL13188540 0.83 HDAC1 (0.53) SMN1; SMN2MAPK1TSHRHIF1AEPAS1
SCHEMBL3713943 0.82 MAPK1 (0.45) SMN1; SMN2MAPK1MMP2MMP8MMP13
SCHEMBL3711281 0.82 ABL1 (0.45) SMN1; SMN2MAPK1HIF1AEPAS1
SCHEMBL3715918 0.81 MAPK1 (0.45) SMN1; SMN2MAPK1MMP2MMP8MMP13
SCHEMBL3720699 0.81 MAPK1 (0.47) SMN1; SMN2MAPK1MMP2MMP8MMP13
SCHEMBL3712370 0.80 ACP1 (0.47) SMN1; SMN2TSHRHIF1AEPAS1KMT2A
SCHEMBL3713515 0.80 MAPK1 (0.47) SMN1; SMN2MAPK1MMP2MMP8MMP13
SCHEMBL13188498 0.80 HDAC1 (0.49) MMP2MMP8MMP13

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