SCHEMBL10840956

SCHEMBL10840956

CCOC(=O)C(=CNc1ccc2c(c1)c(C)cc1nnc(-c3ccc(OC)cc3)n12)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HPGD P15428 3/20 0.45
▸ DHODH Q02127 6/20 0.44
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ ESR1 P03372 1/20 0.38

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
SCHEMBL10841732 0.92 DHODH (0.54) NPSR1MAPTKDM4EL3MBTL1MAPK1
SCHEMBL10842149 0.90 MAPT (0.56) NPSR1MAPTKDM4EL3MBTL1MAPK1
SCHEMBL10842906 0.89 MAPT (0.51) NPSR1MAPTKDM4EL3MBTL1MAPK1
SCHEMBL10841511 0.87 DHODH (0.57) NPSR1MAPTKDM4EL3MBTL1MAPK1
SCHEMBL10841764 0.85 KDM4E (0.55) NPSR1MAPTKDM4EL3MBTL1MAPK1
SCHEMBL10842071 0.82 CHEK1 (0.37) NPSR1MAPTKDM4EHPGDDHODH
SCHEMBL10842773 0.75 KDM4E (0.47) NPSR1MAPTKDM4EL3MBTL1MAPK1
SCHEMBL545096 0.74 DHODH (0.75) NPSR1MAPTKDM4EL3MBTL1MAPK1
SCHEMBL10842915 0.72 CHEK1 (0.45) NPSR1MAPTKDM4EMAPK1HPGD
SCHEMBL7068076 0.69 DHODH (0.65) NPSR1MAPTKDM4EHPGDDHODH

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-0174833-A2 Triazoloquinoline derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP disclosed
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