SCHEMBL29629404

SCHEMBL29629404

NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.65
HDAC1 Q13547 11/20 0.65
HDAC8 Q9BY41 9/20 0.65
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
HDAC5 Q9UQL6 2/20 0.54
HDAC4 P56524 7/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51

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
SCHEMBL29625980 1.00 HDAC6 (0.65) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL2224875 0.87 HDAC6 (0.59) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL16652875 0.85 NPC1 (0.55) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL19071237 0.84 HDAC6 (0.72) HDAC6HDAC1HDAC8HDAC4
SCHEMBL18824382 0.83 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL28499323 0.83 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL21806679 0.81 HDAC6 (0.58) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL29757333 0.80 HDAC4 (0.53) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL2225015 0.80 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL19745693 0.79 HDAC6 (1.00) HDAC6HDAC1HDAC8

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
EP-4114183-B1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2026-02-25 EP claimed
EP-3994130-A1 SUBSTITUTED THIOPHENE CARBOXAMIDES AND DERIVATIVES THEREOF AS MICROBICIDES Bayer Aktiengesellschaft (DE) 2022-05-11 EP disclosed