SCHEMBL3715178

SCHEMBL3715178

COCCNc1ncc(C(=O)NO)cc1-c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL13187783 0.94 KMT2A (0.53) KMT2AHDAC1HDAC3HDAC2HDAC8
SCHEMBL3714327 0.93 KMT2A (0.50) KMT2A
SCHEMBL13188642 0.86 KMT2A (0.54) KMT2A
SCHEMBL3718827 0.80 HIF1A (0.42) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL3711052 0.78 MAPK1 (0.48) KMT2AMMP2MMP8MMP13
SCHEMBL3711870 0.78 HRH3 (0.44)
SCHEMBL3715055 0.78 HIF1A (0.43) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL3714232 0.77 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13187707 0.77 HDAC1 (0.48) KMT2AHDAC1HDAC3HDAC2HDAC8
SCHEMBL3715159 0.74 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC8HDAC6

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