SCHEMBL3711204

SCHEMBL3711204

COc1cccc(NC(=O)Nc2nc(C(=O)NO)cc(-c3ccc(C#Cc4ccc(CN5CCOCC5)cc4)cc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KCNH2 Q12809 2/20 0.50
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
ACP1 P24666 3/20 0.43
MOK Q9UQ07 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FAAH O00519 1/20 0.43
ALK Q9UM73 1/20 0.43
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42

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
SCHEMBL3709976 0.88 TP53 (0.49) TP53LMNASMN1; SMN2NPC1RAB9A
SCHEMBL3715191 0.84 ACP1 (0.57) SMN1; SMN2KDM4ETSHRACP1ALK
SCHEMBL3714015 0.84 JAK2 (0.44)
SCHEMBL3718122 0.84 MOK (0.48) MOK
SCHEMBL13187726 0.83 ALK (0.45) ALK
SCHEMBL13188579 0.82 HDAC1 (0.42) ALK
SCHEMBL13188303 0.81 HDAC1 (0.40) ACP1ALK
SCHEMBL3710064 0.80 KDM4E (0.48) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL3713257 0.80 MMP2 (0.42)
SCHEMBL3720519 0.80 JAK1 (0.52)

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