SCHEMBL19861952

SCHEMBL19861952

B/N=C\c1ccc(-c2noc(C(F)(F)F)n2)nc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 15/20 0.52
HDAC1 Q13547 12/20 0.52
HDAC6 Q9UBN7 11/20 0.43
CNR2 P34972 1/20 0.41
HDAC5 Q9UQL6 4/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL19861953 0.83 HDAC4 (0.49) HDAC4HDAC1HDAC6CNR2HDAC5
SCHEMBL2645669 0.79 HDAC4 (0.54) HDAC4HDAC1HDAC6CNR2HDAC5
SCHEMBL19861942 0.77 HDAC1 (0.50) HDAC1HDAC6HDAC5HDAC8
SCHEMBL19861951 0.76 HDAC6 (0.42) HDAC4HDAC1HDAC6HDAC5HDAC8
SCHEMBL14993515 0.76 HDAC4 (0.54) HDAC4HDAC1HDAC6CNR2HDAC5
SCHEMBL19861944 0.75 HDAC6 (0.48) HDAC4HDAC1HDAC6HDAC5HDAC8
SCHEMBL28499331 0.74 HDAC4 (0.60) HDAC4HDAC1HDAC6
SCHEMBL24485579 0.73 HDAC4 (0.49) HDAC4HDAC1HDAC6CNR2HDAC5
SCHEMBL19042491 0.73 HDAC1 (0.49) HDAC4HDAC1HDAC6CNR2HDAC5
SCHEMBL14993731 0.72 HDAC4 (0.62) HDAC4HDAC1HDAC6HDAC5HDAC8

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-2018030460-A1 OXADIAZOLE COMPOUND AND USE THEREOF AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-15 WO disclosed