SCHEMBL9686549

SCHEMBL9686549

CCOC(=O)C(=CNC(C)(C)C)C(=O)c1cc(F)c(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
MAPT P10636 6/20 0.38
GAA P10253 5/20 0.38
NPSR1 Q6W5P4 5/20 0.38
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP2C9 P11712 1/20 0.36
DHODH Q02127 2/20 0.36
RECQL P46063 1/20 0.35
GPR35 Q9HC97 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9686544 1.00 POLB (0.40) POLBAPEX1MAPTGAANPSR1
SCHEMBL9562485 0.86 MAPT (0.40) MAPTGAANPSR1KDM4ELMNA
SCHEMBL9215706 0.86 MAPT (0.40) MAPTGAANPSR1KDM4ELMNA
SCHEMBL29060584 0.85 SMN1; SMN2 (0.41) MAPTGAANPSR1KDM4ELMNA
SCHEMBL9562337 0.85 GAA (0.41) POLBAPEX1MAPTGAANPSR1
SCHEMBL9221714 0.85 GAA (0.41) POLBAPEX1MAPTGAANPSR1
SCHEMBL9684791 0.84 KEAP1 (0.42) POLBAPEX1MAPTGAANPSR1
SCHEMBL9684796 0.84 KEAP1 (0.42) POLBAPEX1MAPTGAANPSR1
SCHEMBL14111349 0.83 MAPT (0.42) MAPTGAANPSR1KDM4ELMNA
SCHEMBL9686966 0.83 GAA (0.39) POLBMAPTGAANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed