SCHEMBL3715191

SCHEMBL3715191

COc1ccc(CNc2nc(C(=O)NO)cc(-c3ccc(C#Cc4ccc(CN5CCOCC5)cc4)cc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.57
TSHR P16473 1/20 0.51
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
HDAC1 Q13547 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALK Q9UM73 2/20 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
SCHEMBL3709357 0.87 ACP1 (0.53) ACP1TSHRHIF1AEPAS1HDAC1
SCHEMBL3716223 0.86 ACP1 (0.56) ACP1TSHRHIF1AEPAS1HDAC1
SCHEMBL3718122 0.85 MOK (0.48) HDAC1
SCHEMBL3711204 0.84 TP53 (0.55) ACP1TSHRHIF1AEPAS1KDM4E
SCHEMBL3714015 0.82 JAK2 (0.44) HDAC1
SCHEMBL13187726 0.81 ALK (0.45) ALK
SCHEMBL3711837 0.81 ACP1 (0.57) ACP1TSHRHIF1AEPAS1KDM4E
SCHEMBL3713800 0.81 HDAC1 (0.44) HDAC1
SCHEMBL3720519 0.81 JAK1 (0.52)
SCHEMBL3716618 0.81 MMP2 (0.48) HDAC1

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