SCHEMBL3711290

SCHEMBL3711290

O=C(NO)c1cc(C#Cc2ccc(-c3ccccc3)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
EGLN1 Q9GZT9 1/20 0.45
HDAC1 Q13547 7/20 0.45
HDAC6 Q9UBN7 6/20 0.45
HDAC8 Q9BY41 5/20 0.45
KDM4D Q6B0I6 1/20 0.43
SMPD1 P17405 1/20 0.40
USP30 Q70CQ3 1/20 0.40
ACACB O00763 1/20 0.40
SLC16A3 O15427 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
SCHEMBL13188123 0.91 KDM4D (0.43) FFAR1EGLN1HDAC1HDAC6HDAC8
SCHEMBL13187686 0.84 HDAC8 (0.54) HDAC1HDAC6HDAC8KDM4DUSP30
SCHEMBL3714474 0.82 SMPD1 (0.57) FFAR1HDAC1SMPD1ACACB
SCHEMBL3711389 0.82 ACACB (0.58) FFAR1EGLN1ACACB
SCHEMBL3711749 0.80 ACACB (0.46) FFAR1HDAC1HDAC6HDAC8ACACB
SCHEMBL3716655 0.79 FFAR1 (0.45) FFAR1HDAC1HDAC6HDAC8KDM4D
SCHEMBL13187782 0.78 HDAC6 (0.46) FFAR1HDAC1HDAC6KDM4D
SCHEMBL3713974 0.77 ACACB (0.50) FFAR1ACACB
SCHEMBL3718292 0.76 KMO (0.53) FFAR1SLC16A3
SCHEMBL1202476 0.76 KDM4E (0.52) FFAR1EGLN1KDM4DSLC16A3

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