SCHEMBL9685866

SCHEMBL9685866

CCOC(=O)c1cn(C(C)(C)C)c2nc(SCC)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
STAT3 P40763 2/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
ADRB2 P07550 1/20 0.35

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
SCHEMBL9684716 0.87 LMNA (0.43) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL501306 0.84 KMT2A (0.46) KMT2ASTAT3ALDH1A1KDM4EHPGD
SCHEMBL11198998 0.84 KMT2A (0.48) KMT2ASTAT3ALDH1A1KDM4EHPGD
SCHEMBL2093801 0.82 KMT2A (0.44) KMT2ASTAT3ALDH1A1KDM4EHPGD
SCHEMBL8941932 0.81 KMT2A (0.45) KMT2ASTAT3ALDH1A1KDM4EHPGD
SCHEMBL10551689 0.81 KMT2A (0.48) KMT2ASTAT3ALDH1A1KDM4EHPGD
SCHEMBL9775866 0.80 STAT3 (0.43) KMT2ASTAT3ALDH1A1KDM4EHPGD
SCHEMBL10390918 0.80 BAZ2B (0.42) KMT2ASTAT3ALDH1A1KDM4EHPGD
SCHEMBL2093691 0.80 LMNA (0.48) KMT2ASTAT3ALDH1A1KDM4EHPGD
SCHEMBL9775895 0.78 KMT2A (0.40) KMT2ASTAT3ALDH1A1KDM4EHPGD

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