SCHEMBL19861944

SCHEMBL19861944

B/N=C\c1ccc(-c2noc(C(F)(F)F)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.48
HDAC4 P56524 10/20 0.48
HDAC1 Q13547 16/20 0.47
HDAC8 Q9BY41 8/20 0.47
HDAC5 Q9UQL6 4/20 0.47

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
SCHEMBL19861921 0.84 HDAC6 (0.50) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL19745563 0.82 HDAC6 (0.51) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14993379 0.76 HDAC6 (0.56) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL19861934 0.75 HDAC6 (0.49) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL19861952 0.75 HDAC4 (0.52) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL18796020 0.75 HDAC6 (0.70) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL20335377 0.75 HDAC6 (0.54) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL19745599 0.75 HDAC6 (0.54) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL31259010 0.75 HDAC6 (0.70) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL29877691 0.75 HDAC6 (0.71) HDAC6HDAC4HDAC1HDAC8HDAC5

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