SCHEMBL9415882

SCHEMBL9415882

CCOC(=O)C(=CNc1cccc(Cn2ccnn2)c1)C(=O)c1cc(F)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.44
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL9415867 0.90 DHODH (0.44) DHODHMAPTNPSR1KDM4EL3MBTL1
SCHEMBL9415865 0.86 DHODH (0.49) DHODHMAPTNPSR1KDM4EL3MBTL1
SCHEMBL9415877 0.84 DHODH (0.44) DHODHMAPTNPSR1KDM4EL3MBTL1
SCHEMBL9415886 0.84 DHODH (0.44) DHODHMAPTNPSR1KDM4EL3MBTL1
SCHEMBL9415887 0.83 DHODH (0.43) DHODHMAPTNPSR1KDM4EL3MBTL1
SCHEMBL8801294 0.82 DHODH (0.43) DHODHMAPTNPSR1KDM4EL3MBTL1
SCHEMBL8802032 0.80 NPSR1 (0.42) DHODHMAPTNPSR1KDM4EL3MBTL1
SCHEMBL9415883 0.75 DHODH (0.47) DHODHMAPTNPSR1KDM4EL3MBTL1
SCHEMBL9059091 0.74 DHODH (0.44) DHODHMAPTNPSR1KDM4EL3MBTL1
SCHEMBL9415881 0.73 DHODH (0.41) DHODHMAPTNPSR1KDM4EL3MBTL1

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-0612731-A1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1994-08-31 EP disclosed