SCHEMBL3716614

SCHEMBL3716614

O=C(NO)c1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)nc(OCCN2CCOCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
KDM1A O60341 1/20 0.49
ACACB O00763 1/20 0.45
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL13188373 0.96 HDAC1 (0.46) HDAC1KDM1AACACB
SCHEMBL3713800 0.92 HDAC1 (0.44) HDAC1MMP2MMP8MMP13
SCHEMBL3709560 0.90 KMO (0.50) ACACB
SCHEMBL3710611 0.90 ACACB (0.47) HDAC1KDM1AACACB
SCHEMBL13188620 0.86 KMO (0.47) ACACB
SCHEMBL13187751 0.85 MAPK14 (0.42) ACACB
SCHEMBL13187705 0.84 HDAC1 (0.55) HDAC1KDM1AACACBMMP2MMP8
SCHEMBL3716618 0.84 MMP2 (0.48) HDAC1MMP2MMP8MMP13HDAC3
SCHEMBL3715177 0.83 TLR7 (0.44)
SCHEMBL13187744 0.81 HDAC1 (0.51) HDAC1KDM1AHDAC3HDAC2HDAC8

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