SCHEMBL3719937

SCHEMBL3719937

O=C(NO)c1cncc(C#Cc2cccnc2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.61
HDAC1 Q13547 5/20 0.61
MAPT P10636 2/20 0.51
FFAR1 O14842 1/20 0.45
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC3 O15379 2/20 0.44
GRM5 P41594 2/20 0.43
CSF1R P07333 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
PLOD2 O00469 1/20 0.43
KDM1A O60341 1/20 0.42

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
SCHEMBL3713649 0.87 HDAC1 (0.52) HDAC6HDAC1MAPTFFAR1HDAC2
SCHEMBL400670 0.85 HDAC1 (0.60) HDAC6HDAC1FFAR1KDM1A
SCHEMBL3714223 0.81 ALDH1A1 (0.62) MAPTGRM5CSF1R
SCHEMBL3710305 0.81 HDAC6 (0.51) HDAC6HDAC1FFAR1HDAC2HDAC8
SCHEMBL13187784 0.79 CSF1R (0.53) HDAC6HDAC1HDAC2HDAC3CSF1R
SCHEMBL13187673 0.79 CSF1R (0.46) HDAC6HDAC1HDAC2HDAC3GRM5
SCHEMBL13187782 0.77 HDAC6 (0.46) HDAC6HDAC1FFAR1GRM5AAK1
Nicoxamat SCHEMBL93839 0.77 HDAC1 (1.00) HDAC6HDAC1MAPTHDAC2HDAC8
SCHEMBL3714897 0.77 HDAC1 (0.52) HDAC6HDAC1FFAR1HDAC2HDAC8
Nicoxamat SCHEMBL28301679 0.76 HDAC1 (0.96) HDAC6HDAC1MAPTHDAC2HDAC3

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