SCHEMBL7013263

SCHEMBL7013263

CCOC(=O)/C(=C\NC1CC1)C(=O)c1cc(F)c(Br)c(C)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
NPSR1 Q6W5P4 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
DHODH Q02127 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 5/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7013268 1.00 MAPT (0.34) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL10351478 0.90 MAPT (0.34) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL10351480 0.90 MAPT (0.34) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL8775494 0.90 MAPT (0.36) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL9676468 0.90 MAPT (0.36) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL7049477 0.86 NPSR1 (0.36) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL10400402 0.86 NPSR1 (0.36) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL9562430 0.86 NPSR1 (0.36) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL10771664 0.85 POLB (0.37) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL10771670 0.85 POLB (0.37) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed