SCHEMBL14636204

SCHEMBL14636204

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLTC Q00610 10/20 0.72
MPO P05164 1/20 0.62
CYP2D6 P10635 1/20 0.61
FTO Q9C0B1 1/20 0.61
NPSR1 Q6W5P4 3/20 0.60
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 1/20 0.60
AHR P35869 1/20 0.60
RECQL P46063 1/20 0.60
RAB9A P51151 1/20 0.60
CYP1A2 P05177 1/20 0.58
TNNI3 P19429 1/20 0.58
MAPK1 P28482 1/20 0.58
STAT6 P42226 1/20 0.58
TNNT2 P45379 1/20 0.58
TNNC1 P63316 1/20 0.58
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58

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
SCHEMBL27169540 0.92 NPSR1 (0.73) CLTCMPOCYP2D6FTONPSR1
SCHEMBL14636506 0.88 CLTC (0.67) CLTCCYP2D6FTONPSR1CA12
SCHEMBL2365089 0.88 MPO (0.58) CLTCMPOCYP2D6FTONPSR1
SCHEMBL2365090 0.88 MPO (0.58) CLTCMPOCYP2D6FTONPSR1
SCHEMBL14635858 0.85 KDM4E (0.69) CLTCNPSR1MEN1POLBKMT2A
SCHEMBL14636119 0.84 CA12 (0.78) CLTCFTONPSR1MEN1POLB
SCHEMBL14636024 0.84 CLTC (0.79) CLTCNPSR1MEN1POLBKMT2A
SCHEMBL29483205 0.83 CLTC (0.98) CLTCNPSR1CA12CA1CA2
SCHEMBL2365312 0.80 HEXA (0.74) CLTCMPOCYP2D6FTONPSR1
SCHEMBL29817904 0.78 CA12 (0.65) CLTCNPSR1MEN1KMT2ACA12

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
WO-2013010218-A9 INHIBITION OF CLATHRIN FREIE UNIVERSITÄT BERLIN (DE) 2013-03-28 WO disclosed
WO-2013010218-A1 INHIBITION OF CLATHRIN FREIE UNIVERSITÄT BERLIN (DE) 2013-01-24 WO disclosed