SCHEMBL9775870

SCHEMBL9775870

CCOC(=O)/C(=C\NC1CC1)C(=O)c1cc2cc(F)c(F)cc2nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
MAPT P10636 5/20 0.34
HPGD P15428 4/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
GRM1 Q13255 1/20 0.32
DHODH Q02127 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9775871 1.00 ATM (0.37) ATMMAPTHPGDGAAALDH1A1
SCHEMBL5256945 0.88 KEAP1 (0.40) MAPTHPGDGAAALDH1A1NPSR1
SCHEMBL5256943 0.88 KEAP1 (0.40) MAPTHPGDGAAALDH1A1NPSR1
SCHEMBL10551035 0.88 KEAP1 (0.40) MAPTHPGDGAAALDH1A1NPSR1
SCHEMBL7007197 0.82 KEAP1 (0.36) MAPTHPGDGAAALDH1A1NPSR1
SCHEMBL10592860 0.82 GAA (0.48) MAPTHPGDGAANPSR1LMNA
SCHEMBL9492350 0.82 GAA (0.48) MAPTHPGDGAANPSR1LMNA
SCHEMBL5256942 0.82 GAA (0.48) MAPTHPGDGAANPSR1LMNA
SCHEMBL9561752 0.81 MAPT (0.38) MAPTHPGDGAAALDH1A1NPSR1
SCHEMBL7796110 0.81 MAPT (0.38) MAPTHPGDGAAALDH1A1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed
US-4990515-A Chemical intermediates RHONE-POULENC SANTE (FR) 1991-02-05 US disclosed
US-4970213-A Benzo(1,8)naphthyridine derivatives as intermediates RHONE-POULENC SANTE (FR) 1990-11-13 US disclosed