SCHEMBL28813207

SCHEMBL28813207

c1c[nH]c(B(c2ccc[nH]2)c2ccc[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
FKBP5 Q13451 1/20 0.33
MCL1 Q07820 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6556685 0.78 HDAC8 (0.31) HDAC8HDAC6
SCHEMBL488858 0.77
SCHEMBL8966590 0.71 MAOA (0.32)
SCHEMBL5148010 0.65
SCHEMBL1375840 0.65
SCHEMBL630634 0.62 HDAC6 (0.41) DAOHDAC8HDAC6AURKAAURKB
SCHEMBL380666 0.61
Hydrochloric Acid SCHEMBL7988951 0.60 HDAC6 (0.40) DAOHDAC8HDAC6AURKAAURKB
SCHEMBL30659527 0.60
SCHEMBL14953931 0.59

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-103923089-B The synthetic method of a kind of center non-coordination ternary porphyrin compound JIANGSU UNIVERSITY (CN) 2015-12-30 CN disclosed
CN-103923089-A Synthesis method for triphyrin compound with no center coordination UNIV JIANGSU 2014-07-16 CN disclosed