SCHEMBL3721790

SCHEMBL3721790

CN(C)c1cc(C(=O)NO)cc(-c2ccc(C#Cc3cccnc3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.41
HDAC1 Q13547 3/20 0.41
FFAR1 O14842 1/20 0.39
GRM5 P41594 2/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
CSF1R P07333 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
PTGES O14684 2/20 0.38
KDM1A O60341 1/20 0.38
AKR1C3 P42330 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CAMK2D Q13557 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL3719131 0.93 FFAR1 (0.39) HDAC6HDAC1FFAR1GRM5HIF1A
SCHEMBL3714462 0.91 HDAC6 (0.39) HDAC6HDAC1FFAR1GRM5HIF1A
SCHEMBL3713824 0.88 CYP19A1 (0.45) FFAR1GRM5HIF1AEPAS1CSF1R
SCHEMBL3716447 0.87 HDAC6 (0.50) HDAC6HDAC1FFAR1HIF1AEPAS1
SCHEMBL13188231 0.87 CSF1R (0.38) HDAC6HDAC1FFAR1GRM5HIF1A
SCHEMBL13188263 0.84 HDAC6 (0.42) HDAC6HDAC1FFAR1GRM5HIF1A
SCHEMBL3713444 0.84 HDAC6 (0.44) HDAC6HDAC1FFAR1GRM5HIF1A
SCHEMBL13188441 0.83 CSF1R (0.43) HDAC6HDAC1FFAR1GRM5CSF1R
SCHEMBL13188474 0.82 CAMK2D (0.47) HDAC6HDAC1FFAR1GRM5HIF1A
SCHEMBL3714241 0.81 HDAC6 (0.41) HDAC6HDAC1FFAR1GRM5HIF1A

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