SCHEMBL26061354

SCHEMBL26061354

O=C(NO)c1cnc2c(c1)CN(C[C@]13C[C@H](CO1)N(C1CC1)C3)CC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.35
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
CCR2 P41597 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL26061355 1.00 HDAC6 (0.35) HDAC6HDAC3HDAC1HDAC2PRMT5
SCHEMBL26051962 0.94 HDAC6 (0.35) HDAC6HDAC3HDAC1HDAC2
SCHEMBL26051963 0.94 HDAC6 (0.35) HDAC6HDAC3HDAC1HDAC2
SCHEMBL26056274 0.89 HDAC6 (0.36) HDAC6HDAC3HDAC1HDAC2PRMT5
SCHEMBL26061353 0.89 HDAC6 (0.36) HDAC6HDAC3HDAC1HDAC2PRMT5
SCHEMBL26056262 0.84 HDAC6 (0.38) HDAC6HDAC3HDAC1HDAC2CCR2
SCHEMBL26051957 0.83 P2RX3 (0.35) HDAC6HDAC3HDAC1HDAC2
SCHEMBL26051960 0.83 P2RX3 (0.35) HDAC6HDAC3HDAC1HDAC2
SCHEMBL26055860 0.83
SCHEMBL26055854 0.83

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-2023150203-A1 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed