SCHEMBL3716655

SCHEMBL3716655

O=C(NO)c1cc(-c2ccc(C#Cc3cccnc3)cc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
HDAC6 Q9UBN7 6/20 0.44
KDM4D Q6B0I6 1/20 0.42
HDAC1 Q13547 6/20 0.42
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
GRM5 P41594 3/20 0.40
KDM1A O60341 1/20 0.40
SMPD1 P17405 1/20 0.40
CYP2A6 P11509 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39

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
SCHEMBL13187782 0.87 HDAC6 (0.46) FFAR1HDAC6KDM4DHDAC1GRM5
SCHEMBL3714679 0.84 KMO (0.51) FFAR1HDAC6HDAC1HDAC3HDAC2
SCHEMBL13187685 0.84 HDAC6 (0.57) HDAC6KDM4DHDAC1HDAC3HDAC2
SCHEMBL3711202 0.84 ACACB (0.46) FFAR1GRM5
SCHEMBL13187767 0.81 HDAC6 (0.59) HDAC6KDM4DHDAC1HDAC3HDAC2
SCHEMBL3714897 0.81 HDAC1 (0.52) FFAR1HDAC6HDAC1HDAC3HDAC2
SCHEMBL3713649 0.80 HDAC1 (0.52) FFAR1HDAC6HDAC1HDAC3HDAC2
SCHEMBL3711290 0.79 FFAR1 (0.47) FFAR1HDAC6KDM4DHDAC1SMPD1
SCHEMBL3717482 0.79 IRAK4 (0.48) FFAR1HDAC6HDAC1HDAC3HDAC2
SCHEMBL400670 0.78 HDAC1 (0.60) FFAR1HDAC6HDAC1KDM1AHIF1A

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