SCHEMBL13680841

SCHEMBL13680841

CN(C)C(=O)Nc1ccc(-c2cccc(CCC=O)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
AOC3 Q16853 2/20 0.40
PNPLA2 Q96AD5 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PRNP P04156 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL13680827 0.88 KMT2A (0.50) KDM4EMEN1PRNPPOLBGAA
SCHEMBL13680844 0.84 SMN1; SMN2 (0.43) KDM4EMEN1PRNPPOLBGAA
SCHEMBL13680837 0.81 ALDH1A1 (0.40) TSHRKDM4EMEN1KMT2A
SCHEMBL13680842 0.79 RAB9A (0.45) TSHRKDM4EGAAKMT2A
SCHEMBL13680831 0.78 PDE10A (0.37) AOC3
SCHEMBL13680825 0.78 MAPT (0.41) POLBKMT2A
SCHEMBL13680940 0.78 TP53 (0.45) MEN1POLBKMT2A
SCHEMBL13680483 0.77 TSHR (0.49) TSHRAOC3PNPLA2HDAC6MEN1
SCHEMBL13680843 0.77 HPGD (0.45) KDM4EMEN1POLBKMT2A
SCHEMBL13680836 0.77 NPC1 (0.44) HDAC6

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed