SCHEMBL30185504

SCHEMBL30185504

COC(=O)c1ccc2c(ccn2Cc2cccc(C)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.54
HDAC6 Q9UBN7 6/20 0.54
HDAC11 Q96DB2 1/20 0.54
PLAU P00749 2/20 0.53
PLG P00747 1/20 0.53
HDAC3 O15379 5/20 0.53
HDAC1 Q13547 5/20 0.53
HDAC2 Q92769 5/20 0.53
HDAC10 Q969S8 4/20 0.53
EPHX2 P34913 2/20 0.48
PPARG P37231 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL28580016 1.00 HDAC8 (0.54) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL30185495 1.00 HDAC8 (0.54) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL3109875 0.88 HDAC6 (0.61) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL28580033 0.86 PLAU (0.56) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL28586566 0.86 HDAC6 (0.67) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL30185511 0.86 HDAC6 (0.67) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL30185512 0.86 PLAU (0.56) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL9182305 0.84 PAX8 (0.51) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL1180004 0.83 CD74 (0.54) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL6086357 0.81 HDAC6 (0.65) HDAC8HDAC6HDAC11PLAUPLG

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