SCHEMBL3715992

SCHEMBL3715992

CCCCOC(=O)c1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)nc(NC(=O)NCC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
PIK3CA P42336 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
ACP1 P24666 1/20 0.38
MTOR P42345 2/20 0.38
MOK Q9UQ07 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
STAT3 P40763 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL3710995 0.92 L3MBTL1 (0.39) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL3711316 0.91 ALK (0.40) L3MBTL1
SCHEMBL3715458 0.91 L3MBTL1 (0.37) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL3721238 0.89 EPHX2 (0.42) L3MBTL1AURKAAURKBRAB9ASMN1; SMN2
SCHEMBL3709976 0.87 TP53 (0.49) ACP1MOKLMNAMAPTTSHR
SCHEMBL3712000 0.87 MAPK1 (0.36) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL3714015 0.86 JAK2 (0.44) JAK2JAK3
SCHEMBL3709357 0.86 ACP1 (0.53) ACP1MOKTSHRSMN1; SMN2
SCHEMBL13188445 0.85 HRH3 (0.41) MAPK1L3MBTL1ACP1MOKLMNA
SCHEMBL3709302 0.85 BCHE (0.44) L3MBTL1JAK2ACP1TSHRRAB9A

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