SCHEMBL28813433

SCHEMBL28813433

COc1ccc(Cn2ccc3cc(Br)ccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.63
HDAC8 Q9BY41 7/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC3 O15379 6/20 0.58
HDAC1 Q13547 6/20 0.58
HDAC2 Q92769 6/20 0.58
HDAC10 Q969S8 5/20 0.58
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
HTR2C P28335 2/20 0.51
HTR2A P28223 1/20 0.51
IDO1 P14902 1/20 0.50
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PRMT5 O14744 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL2279750 0.90 HDAC8 (0.64) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL27976945 0.88 HTR2A (0.55) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL3861303 0.85 HDAC6 (0.56) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL6086626 0.83 HDAC8 (0.55) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL1571627 0.82 MAPT (0.52) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL15712272 0.82 HDAC8 (0.60) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL4941436 0.82 HDAC8 (0.56) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL3861264 0.81 APP (0.53) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL4024181 0.81 CCR9 (0.52) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL6087656 0.81 HDAC8 (0.57) HDAC6HDAC8HDAC11HDAC3HDAC1

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-104130175-A Different-position substituted indolone derivatives and application thereof UNIV TIANJIN SCIENCE & TECH 2014-11-05 CN disclosed