SCHEMBL14636506

SCHEMBL14636506

Nc1ccc(CN2C(=O)c3cccc4cc(O)cc(c34)C2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLTC Q00610 13/20 0.67
NPSR1 Q6W5P4 1/20 0.56
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
KDM4E B2RXH2 1/20 0.52
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
CYP2D6 P10635 1/20 0.48
FTO Q9C0B1 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
SCHEMBL14636204 0.88 CLTC (0.72) CLTCNPSR1CA12CA1CA2
SCHEMBL14636024 0.83 CLTC (0.79) CLTCNPSR1CA12CA1CA2
SCHEMBL14635858 0.81 KDM4E (0.69) CLTCNPSR1CA12CA1CA2
SCHEMBL14636119 0.81 CA12 (0.78) CLTCNPSR1CA12CA1CA2
SCHEMBL27169540 0.80 NPSR1 (0.73) CLTCNPSR1CA12CA1CA2
SCHEMBL29483205 0.80 CLTC (0.98) CLTCNPSR1CA12CA1CA2
SCHEMBL13893856 0.78 CYP1B1 (0.71) CLTCNPSR1KDM4EHDAC3HDAC4
SCHEMBL2365090 0.77 MPO (0.58) CLTCNPSR1CA12CA1CA2
SCHEMBL2365089 0.77 MPO (0.58) CLTCNPSR1CA12CA1CA2
SCHEMBL14636004 0.77 CLTC (0.79) CLTCNPSR1CA12CA1CA2

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-2013010218-A1 INHIBITION OF CLATHRIN FREIE UNIVERSITÄT BERLIN (DE) 2013-01-24 WO disclosed