SCHEMBL10085252

SCHEMBL10085252

NOC(=O)c1cc(Cl)cc2ccn(Cc3ccc(Cl)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.43
PTGDR Q13258 6/20 0.43
ADRA1D P25100 3/20 0.43
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
THRB P10828 3/20 0.39
THRA P10827 2/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL12583777 0.85 KDM4E (0.46) PTGER4PTGDRKMT2ALMNAMAPT
SCHEMBL12583778 0.84 PTGER4 (0.51) PTGER4PTGDRADRA1DHDAC3HDAC1
SCHEMBL1075731 0.79 MAPT (0.45) PTGER4PTGDRHDAC3HDAC1HDAC2
SCHEMBL986728 0.77 MAPT (0.43) PTGER4PTGDRHDAC3HDAC1HDAC2
SCHEMBL23879093 0.76 PTGER4 (0.62) PTGER4PTGDRKDM4E
SCHEMBL12583884 0.76 PTGER4 (0.45) PTGER4PTGDRTHRBKMT2ALMNA
SCHEMBL12584191 0.76 PTGER4 (0.45) PTGER4PTGDRKMT2APOLBKDM4E
SCHEMBL12583954 0.76 PTGER4 (0.49) PTGER4PTGDRHDAC3HDAC1HDAC2
SCHEMBL12584197 0.74 PTGER4 (0.50) PTGER4PTGDRPOLBEGLN1KDM4E
SCHEMBL12583938 0.74 FNTA (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6

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
EP-2460787-A1 Amide compounds and their use as PGE2 antagonists. Astellas Pharma Inc. (JP) 2012-06-06 EP disclosed