SCHEMBL22944773

SCHEMBL22944773

O=C(NO)c1ccc(Cc2ccccccccc2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 16/20 0.58
▸ HDAC1 Q13547 14/20 0.58
▸ HDAC8 Q9BY41 13/20 0.58
▸ HDAC2 Q92769 4/20 0.50
▸ HDAC11 Q96DB2 3/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL7895926 0.81 ACHE (0.51) —
SCHEMBL12850618 0.77 HDAC1 (0.79) HDAC6HDAC1HDAC8HDAC2HDAC11
SCHEMBL7897153 0.77 ACHE (0.47) —
SCHEMBL22944297 0.74 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC2HDAC11
SCHEMBL17078888 0.74 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC2HDAC11
SCHEMBL20432683 0.74 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC2HDAC11
SCHEMBL12938881 0.73 HDAC6 (0.68) HDAC6HDAC1HDAC8HDAC2HDAC11
SCHEMBL9937700 0.73 NR4A2 (0.54) —
SCHEMBL30929656 0.73 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL28623180 0.73 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC11HDAC3

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
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