SCHEMBL9535935

SCHEMBL9535935

CCOC(=O)C(=CNc1ccc(O)cc1)C(=O)c1cc(F)c(Cl)nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.50
NPSR1 Q6W5P4 5/20 0.48
KDM4E B2RXH2 6/20 0.42
MAPT P10636 5/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
MAPK1 P28482 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39

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
SCHEMBL9537592 0.93 DHODH (0.51) DHODHNPSR1KDM4EMAPTRECQL
SCHEMBL9536539 0.91 DHODH (0.53) DHODHNPSR1KDM4EMAPTRECQL
SCHEMBL10824742 0.85 DHODH (0.52) DHODHNPSR1KDM4EMAPTRECQL
SCHEMBL14700370 0.83 KEAP1 (0.44) DHODHNPSR1KDM4EMAPTHPGD
SCHEMBL7009563 0.83 NPSR1 (0.41) DHODHNPSR1KDM4EMAPTHPGD
SCHEMBL7009560 0.83 NPSR1 (0.41) DHODHNPSR1KDM4EMAPTHPGD
SCHEMBL10372640 0.83 DHODH (0.54) DHODHNPSR1KDM4EMAPTRECQL
SCHEMBL10372641 0.83 DHODH (0.54) DHODHNPSR1KDM4EMAPTRECQL
SCHEMBL5258270 0.82 MEN1 (0.43) DHODHNPSR1KDM4EMAPTHPGD
SCHEMBL5258272 0.82 MEN1 (0.43) DHODHNPSR1KDM4EMAPTHPGD

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
EP-0153580-B2 NAPHTHYRIDINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1993-03-17 EP disclosed
EP-0153580-B1 NAPHTHYRIDINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1989-01-25 EP disclosed
EP-0153580-A1 Naphthyridine antibacterial compounds ABBOTT LABORATORIES (US) 1985-09-04 EP disclosed