SCHEMBL30096075

SCHEMBL30096075

O=C(NO)c1cccc(C(F)(F)F)c1CNCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.61
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
P2RX7 Q99572 6/20 0.46
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL30096079 0.84 P2RX7 (0.58) HDAC6P2RX7HDAC3HDAC1HDAC2
SCHEMBL30096069 0.84 HDAC6 (0.60) HDAC6P2RX7HDAC3HDAC1HDAC2
SCHEMBL30096078 0.83 HDAC6 (0.58) HDAC6P2RX7HDAC3HDAC1HDAC2
SCHEMBL30096076 0.78 HDAC6 (0.61) HDAC6P2RX7HDAC3HDAC1HDAC2
SCHEMBL20535208 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2MEN1
SCHEMBL7571551 0.75 P2RX7 (0.66) P2RX7
SCHEMBL30096073 0.74 HDAC6 (0.72) HDAC6P2RX7HDAC3HDAC1HDAC2
SCHEMBL30096070 0.74 HDAC6 (0.57) HDAC6P2RX7HDAC3HDAC1HDAC2
SCHEMBL20535302 0.72 HDAC6 (1.00) HDAC6P2RX7HDAC3HDAC1HDAC2
SCHEMBL20535184 0.71 HDAC6 (1.00) HDAC6P2RX7HDAC3HDAC1HDAC2

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
CN-115869428-A HDAC6 inhibitors and imaging agents 通用医疗公司 2023-03-31 CN disclosed
CN-110770206-B HDAC6 inhibitors 通用医疗公司 2022-11-25 CN disclosed