SCHEMBL13188236

SCHEMBL13188236

C=C/C=C\N=C(/N)N1CCN(c2nc(C(=O)NO)cc(-c3ccc(-c4cccnc4)cc3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KIT P10721 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MKNK1 Q9BUB5 2/20 0.35
▸ MKNK2 Q9HBH9 2/20 0.35

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
SCHEMBL13188314 0.78 HSD17B10 (0.57) KDM4EHTTHPGDHSD17B10TSHR
SCHEMBL13188766 0.65 ABL1 (0.52) GAALMNAHDAC6HDAC3MAPT
SCHEMBL13187832 0.64 HDAC6 (0.54) HTTTSHRLMNAUSP2MTOR
SCHEMBL3717048 0.61 KDM4E (0.52) KDM4EHTTGLAHPGDHSD17B10
SCHEMBL13187685 0.61 HDAC6 (0.57) MKNK1MKNK2HDAC6HDAC3HDAC1
SCHEMBL13188764 0.61 POLB (0.50) HTTHSD17B10GAALMNAPOLB
SCHEMBL13187931 0.60 HDAC6 (0.48) MKNK1MKNK2HDAC6HDAC3DHODH
SCHEMBL13188368 0.60 ABL1 (0.44) HDAC6HDAC3ABL1HDAC1HDAC2
SCHEMBL3713050 0.59 TSHR (0.44) KDM4EHTTGLAHPGDHSD17B10
SCHEMBL1734410 0.59 KDM4E (0.97) KDM4EHTTGLAHPGDHSD17B10

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
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