SCHEMBL3713979

SCHEMBL3713979

COC(=O)c1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.51
▸ ACP1 P24666 3/20 0.51
▸ MOK Q9UQ07 7/20 0.47
▸ PDE10A Q9Y233 1/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL13188262 0.94 GRM2 (0.55) GRM2ACP1MOKPDE10AJAK2
SCHEMBL13188454 0.81 GRM2 (0.56) GRM2ACP1MOKPDE10AKDM4E
SCHEMBL3713943 0.80 MAPK1 (0.45) ACP1
SCHEMBL3713515 0.79 MAPK1 (0.47) ALDH1A1
SCHEMBL3715035 0.79 SMN1; SMN2 (0.47) LMNA
SCHEMBL3715918 0.79 MAPK1 (0.45) ACP1JAK2
SCHEMBL3720699 0.78 MAPK1 (0.47) —
SCHEMBL3717015 0.76 ACP1 (0.42) ACP1MOK
SCHEMBL3711281 0.76 ABL1 (0.45) ACP1JAK2JAK3
SCHEMBL3713277 0.76 ACP1 (0.44) ACP1MOKALDH1A1

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
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