SCHEMBL7867652

SCHEMBL7867652

O=C(NO)c1ccc2c(c1)CCN(c1nccc(NCC3=CC=CCC3)n1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 9/20 0.40
▸ HDAC6 Q9UBN7 11/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL1264473 0.84 ACHE (0.60) ACHE
SCHEMBL1264493 0.81 ACHE (0.58) ACHEHDAC6HDAC11
SCHEMBL1262984 0.68 ACHE (0.54) ACHE
SCHEMBL1264152 0.66 ACHE (0.51) ACHEHDAC6
SCHEMBL1263029 0.65 HDAC6 (0.48) HDAC6HDAC11HDAC8
SCHEMBL612135 0.63 ALDH1A1 (0.63) HDAC6HDAC8
SCHEMBL368469 0.63 HDAC6 (0.59) HDAC6HDAC8
SCHEMBL10120352 0.63 HDAC6 (0.57) HDAC6HDAC8
SCHEMBL10120351 0.63 HDAC6 (0.57) HDAC6HDAC8
SCHEMBL1174394 0.63 ACHE (0.53) ACHE

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-2010151318-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — WO disclosed
Send feedback