SCHEMBL9684756

SCHEMBL9684756

CCO/C=C(/C(=O)OCC)C(=O)c1cc(F)c(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GLO1 Q04760 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 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
SCHEMBL2090061 1.00 MAPT (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL2090060 1.00 MAPT (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL263120 0.93 CYP1A2 (0.41) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL263121 0.93 CYP1A2 (0.41) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL29007910 0.90 NPSR1 (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL30181010 0.90 NPSR1 (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL10742482 0.88 CYP1A2 (0.33) MAPTLMNACYP1A2CYP2C19GAA
SCHEMBL10742485 0.88 CYP1A2 (0.33) MAPTLMNACYP1A2CYP2C19GAA
SCHEMBL14111349 0.88 MAPT (0.42) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL10780737 0.88 LMNA (0.36) MAPTNPSR1MEN1KMT2ALMNA

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