SCHEMBL689127

SCHEMBL689127

CCOC(=O)C(=O)Nc1ccc(N)cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.50
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.44
AKR1B1 P15121 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL688777 0.87 GPR35 (0.51) GPR35ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL689300 0.85 GPR35 (0.49) GPR35ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL30311924 0.85 GPR35 (0.49) GPR35ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL688882 0.85 MAPT (0.57) GPR35ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL30629527 0.85 ALDH1A1 (0.56) GPR35ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL11445926 0.85 ALDH1A1 (0.56) GPR35ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL688699 0.84 ALDH1A1 (0.58) GPR35ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL11633939 0.83 GPR35 (0.47) GPR35ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL11535897 0.81 GPR35 (0.61) GPR35ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL11455249 0.81 GPR35 (0.52) GPR35ALDH1A1KMT2AGAAL3MBTL1

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
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed