SCHEMBL27977005

SCHEMBL27977005

COc1ccc(Cn2ccc3cc(-c4ccc(F)cc4)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.56
HDAC8 Q9BY41 7/20 0.55
HDAC6 Q9UBN7 7/20 0.55
HDAC11 Q96DB2 2/20 0.55
MET P08581 2/20 0.52
HDAC3 O15379 6/20 0.51
HDAC1 Q13547 6/20 0.51
HDAC2 Q92769 6/20 0.51
HDAC10 Q969S8 4/20 0.51
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
NTSR1 P30989 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
PAX8 Q06710 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL5894379 0.89 HDAC8 (0.56) SCN9AHDAC8HDAC6HDAC11MET
SCHEMBL27976688 0.88 HDAC8 (0.56) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL27976655 0.87 HDAC6 (0.58) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL28813667 0.87 HDAC6 (0.55) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL27976937 0.86 HDAC8 (0.57) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL4939166 0.86 SCN9A (0.50) SCN9AHDAC8HDAC6HDAC11MET
SCHEMBL27976942 0.86 PDE5A (0.59) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL27976649 0.86 HDAC6 (0.54) SCN9AHDAC8HDAC6HDAC11HDAC3
SCHEMBL4943532 0.85 HTR6 (0.52) SCN9AHDAC8HDAC6HDAC3HDAC1
SCHEMBL27976621 0.85 HDAC6 (0.53) HDAC8HDAC6HDAC11HDAC3HDAC1

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