SCHEMBL22944943

SCHEMBL22944943

O=C(NO)c1cc(F)c2c(c1)CN(CC13CC4CC5CC(C1)C543)CC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.44
KDM1A O60341 6/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC4 P56524 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
HDAC1 Q13547 6/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL29672346 0.82 HDAC6 (0.51) HDAC6HDAC8HDAC4HDAC7HDAC11
SCHEMBL22944355 0.82 HDAC6 (0.51) HDAC6HDAC8HDAC4HDAC7HDAC11
SCHEMBL29795160 0.79 HDAC6 (0.47) HDAC6KDM1AHDAC8HDAC1HDAC3
SCHEMBL22944075 0.74 HDAC6 (0.54) HDAC6KDM1AHDAC8HDAC4HDAC7
SCHEMBL29795226 0.74 HDAC6 (0.48) HDAC6KDM1AHDAC8HDAC4HDAC7
SCHEMBL22943788 0.74 HDAC6 (0.48) HDAC6KDM1AHDAC8HDAC4HDAC7
SCHEMBL22944079 0.72 HDAC6 (0.54) HDAC6HDAC8HDAC4HDAC7HDAC11
SCHEMBL29795216 0.72 HDAC6 (0.54) HDAC6HDAC8HDAC4HDAC7HDAC11
SCHEMBL22943785 0.72 HDAC6 (0.54) HDAC6HDAC8HDAC4HDAC7HDAC11
SCHEMBL22944082 0.71 HDAC6 (0.55) HDAC6KDM1AHDAC1

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-2021021979-A2 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPAPEUTICS, INC. (US) 2021-02-04 WO disclosed