SCHEMBL3713974

SCHEMBL3713974

CCCc1ccc(C#Cc2ccnc(C(=O)NO)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.50
FFAR1 O14842 8/20 0.50
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3716941 0.85 FFAR1 (0.56) ACACBFFAR1
SCHEMBL3713066 0.85 ACACB (0.65) ACACBFFAR1
SCHEMBL13187678 0.81 KDM4D (0.47) HTTSMN1; SMN2
SCHEMBL13188123 0.79 KDM4D (0.43) ACACBFFAR1
SCHEMBL3711749 0.79 ACACB (0.46) ACACBFFAR1SMN1; SMN2
SCHEMBL3711290 0.77 FFAR1 (0.47) ACACBFFAR1
SCHEMBL3714474 0.77 SMPD1 (0.57) ACACBFFAR1SMN1; SMN2
SCHEMBL13187834 0.74 HDAC6 (0.42) ACACBFFAR1
SCHEMBL13187782 0.72 HDAC6 (0.46) FFAR1
SCHEMBL9328434 0.70 ACACB (0.54) ACACBFFAR1

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