SCHEMBL20528665

SCHEMBL20528665

Fc1cc(-c2noc(C(F)(F)F)n2)ccc1CBr

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.65
HDAC1 Q13547 8/20 0.65
HDAC5 Q9UQL6 2/20 0.65
HDAC8 Q9BY41 3/20 0.55
HDAC4 P56524 15/20 0.53
HDAC3 O15379 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52

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
SCHEMBL26968022 0.89 HDAC6 (0.53) HDAC6HDAC1HDAC5HDAC8HDAC4
Hydrochloric Acid SCHEMBL20528676 0.85 HDAC6 (0.63) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL18920711 0.85 HDAC6 (0.51) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL22531084 0.83 HDAC6 (0.61) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL20528693 0.81 HDAC6 (0.49) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL18398630 0.81 HDAC4 (0.51) HDAC6HDAC1HDAC5HDAC4
SCHEMBL23667729 0.80 L3MBTL1 (0.53) HDAC6HDAC1HDAC5HDAC8
SCHEMBL20528700 0.79 HDAC1 (0.47) HDAC6HDAC1HDAC5HDAC8
SCHEMBL20528666 0.79 HDAC6 (0.56) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL19745335 0.79 HDAC6 (1.00) HDAC6HDAC1HDAC5HDAC8HDAC4

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-2018219773-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2018-12-06 WO disclosed
WO-2018184987-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-10-11 WO disclosed