SCHEMBL16201549

SCHEMBL16201549

O=C(CO)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.68
HDAC6 Q9UBN7 6/20 0.63
HDAC1 Q13547 5/20 0.63
HDAC3 O15379 3/20 0.61
HDAC4 P56524 3/20 0.61
HDAC7 Q8WUI4 3/20 0.61
HDAC2 Q92769 3/20 0.61
HDAC10 Q969S8 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61
HDAC5 Q9UQL6 3/20 0.61
CDK8 P49336 1/20 0.58
CFD P00746 1/20 0.57
POLB P06746 1/20 0.57
CNR1 P21554 3/20 0.55
CYP2C19 P33261 1/20 0.54
F2R P25116 1/20 0.54

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
SCHEMBL13476524 0.86 MGLL (0.68) MGLLHDAC6HDAC1HDAC3HDAC4
SCHEMBL7404383 0.84 MGLL (0.66) MGLLHDAC6HDAC1HDAC3HDAC4
SCHEMBL4003283 0.84 MITF (0.72) MGLLHDAC6HDAC1HDAC3HDAC4
SCHEMBL8404715 0.84 L3MBTL1 (0.67) MGLLHDAC6HDAC1HDAC3HDAC4
SCHEMBL7568726 0.83 ALDH1A1 (0.70) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL6098738 0.83 CFD (0.81) MGLLHDAC6HDAC1HDAC3HDAC4
SCHEMBL725251 0.82 EPHX2 (0.63) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL12366199 0.81 MGLL (0.62) MGLLHDAC6HDAC1HDAC3HDAC4
SCHEMBL12383061 0.81 F2R (0.77) MGLLHDAC6HDAC1HDAC3HDAC4
SCHEMBL6037929 0.81 HDAC6 (0.79) MGLLHDAC6HDAC1HDAC3HDAC4

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-2014175832-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-10-30 WO disclosed