SCHEMBL19861941

SCHEMBL19861941

B/N=C\c1ccc(-c2noc(C(F)(F)F)n2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC4 P56524 15/20 0.44
HDAC5 Q9UQL6 1/20 0.42
NR1I2 O75469 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 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
SCHEMBL19861930 0.90 HDAC4 (0.44) HDAC6HDAC1HDAC8HDAC4
SCHEMBL19861934 0.86 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL19861924 0.85 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL19861951 0.76 HDAC6 (0.42) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL2888002 0.76 HDAC4 (0.50) HDAC6HDAC1HDAC8HDAC4NR1I2
SCHEMBL19042602 0.76 HDAC4 (0.53) HDAC6HDAC8HDAC4
SCHEMBL19861940 0.76 HDAC4 (0.43) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL19861944 0.74 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL20528695 0.74 HDAC4 (0.57) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL19042580 0.73 HDAC4 (0.48) HDAC6HDAC1HDAC8HDAC4HDAC5

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