SCHEMBL9686966

SCHEMBL9686966

CCOC(=O)/C(=C/NC(C)(C)C)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
NPSR1 Q6W5P4 4/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DHODH Q02127 3/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.34
STAT1 P42224 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
SCHEMBL9686969 1.00 GAA (0.39) GAANPSR1MAPTMEN1KMT2A
SCHEMBL12417451 0.89 GAA (0.37) GAANPSR1MAPTMEN1KMT2A
SCHEMBL1345257 0.88 GAA (0.37) GAANPSR1MAPTMEN1KMT2A
SCHEMBL1345256 0.88 GAA (0.37) GAANPSR1MAPTMEN1KMT2A
SCHEMBL12130969 0.88 GAA (0.37) GAANPSR1MAPTMEN1KMT2A
SCHEMBL3875356 0.87 GAA (0.36) GAANPSR1MAPTMEN1KMT2A
SCHEMBL1343209 0.87 GAA (0.36) GAANPSR1MAPTMEN1KMT2A
SCHEMBL1343210 0.87 GAA (0.36) GAANPSR1MAPTMEN1KMT2A
SCHEMBL9221714 0.87 GAA (0.41) GAANPSR1MAPTMEN1KMT2A
SCHEMBL9562337 0.87 GAA (0.41) GAANPSR1MAPTMEN1KMT2A

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 5 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
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed