SCHEMBL15612995

SCHEMBL15612995

NC(=O)c1ccc2c(c1)CCN2Cc1ccc(C(=O)I)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.65
HDAC6 Q9UBN7 13/20 0.65
HDAC8 Q9BY41 7/20 0.65
HDAC3 O15379 2/20 0.65
HDAC4 P56524 2/20 0.65
HDAC7 Q8WUI4 2/20 0.65
HDAC2 Q92769 2/20 0.65
HDAC11 Q96DB2 2/20 0.65
HDAC9 Q9UKV0 2/20 0.65
HDAC5 Q9UQL6 2/20 0.65
CYP2C19 P33261 1/20 0.65
HDAC10 Q969S8 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
ALOX5 P09917 2/20 0.47
EPHX2 P34913 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL15612755 0.93 HDAC1 (0.70) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL16558080 0.88 HDAC1 (0.64) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL28247407 0.88 HDAC1 (0.63) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL5773620 0.86 HDAC1 (0.61) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15612925 0.85 HDAC1 (0.70) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15528574 0.83 HDAC1 (0.65) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15529339 0.82 HDAC6 (0.60) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15610731 0.81 HDAC1 (0.59) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL16558088 0.81 HDAC1 (0.75) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15612833 0.81 HDAC1 (0.71) HDAC1HDAC6HDAC8HDAC3HDAC4

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
WO-2013166013-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 WO disclosed