SCHEMBL30185513

SCHEMBL30185513

O=C(O)c1ccc2c(ccn2Cc2ccc(F)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.68
HDAC6 Q9UBN7 7/20 0.68
HDAC1 Q13547 6/20 0.68
HDAC2 Q92769 6/20 0.68
HDAC3 O15379 5/20 0.68
PLG P00747 1/20 0.57
PLAU P00749 1/20 0.57
HDAC11 Q96DB2 1/20 0.54
PPARG P37231 3/20 0.52
MAOB P27338 1/20 0.52
EPHX2 P34913 4/20 0.50
HDAC10 Q969S8 3/20 0.50
ALOX5 P09917 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL7014848 1.00 HDAC8 (0.68) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL28310548 0.89 HDAC8 (0.55) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL28565908 0.87 HDAC6 (0.67) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL15971036 0.87 PLAU (0.57) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL30888879 0.87 PLAU (0.57) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL30790906 0.86 HDAC8 (0.53) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL28563193 0.86 HDAC6 (0.68) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL14120940 0.86 HDAC6 (0.57) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL28774000 0.86 HDAC8 (0.53) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL6705753 0.84 HDAC6 (0.66) HDAC8HDAC6HDAC1HDAC2HDAC3

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
CN-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 CN disclosed