SCHEMBL9537592

SCHEMBL9537592

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.51
MAPT P10636 6/20 0.49
NPSR1 Q6W5P4 5/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 5/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.41
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40

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
SCHEMBL9535935 0.93 DHODH (0.50) DHODHMAPTNPSR1ALDH1A1MEN1
SCHEMBL9536539 0.92 DHODH (0.53) DHODHMAPTNPSR1MEN1KMT2A
SCHEMBL5258272 0.88 MEN1 (0.43) DHODHMAPTNPSR1ALDH1A1MEN1
SCHEMBL5258270 0.88 MEN1 (0.43) DHODHMAPTNPSR1ALDH1A1MEN1
SCHEMBL7009563 0.86 NPSR1 (0.41) DHODHMAPTNPSR1ALDH1A1MEN1
SCHEMBL7009560 0.86 NPSR1 (0.41) DHODHMAPTNPSR1ALDH1A1MEN1
SCHEMBL8129004 0.86 NPSR1 (0.57) DHODHMAPTNPSR1ALDH1A1MEN1
SCHEMBL9381551 0.86 DHODH (0.54) DHODHMAPTNPSR1ALDH1A1MEN1
SCHEMBL9381550 0.86 DHODH (0.54) DHODHMAPTNPSR1ALDH1A1MEN1
SCHEMBL14700370 0.84 KEAP1 (0.44) DHODHMAPTNPSR1ALDH1A1MEN1

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