SCHEMBL14039802

SCHEMBL14039802

Cc1cccc2c1C(=O)c1cccc(Sc3ccc(F)cc3)c1C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 2/20 0.54
NSD2 O96028 1/20 0.54
P4HB P07237 2/20 0.43
PTPN1 P18031 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
DHFR P00374 1/20 0.39
ADORA2A P29274 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL10355976 0.82 MAPT (0.54) MAPTMAPK1KDM4ENSD2P4HB
SCHEMBL9642618 0.81 MAPT (0.53) MAPTMAPK1KDM4ENSD2P4HB
SCHEMBL4485448 0.81 MAPT (0.64) MAPTMAPK1KDM4ENSD2P4HB
SCHEMBL6365480 0.78 MAPK1 (0.64) MAPTMAPK1KDM4ENSD2DHFR
SCHEMBL11580274 0.78 MAPT (0.55) MAPTMAPK1KDM4ENSD2P4HB
SCHEMBL5187613 0.77 MAPT (0.68) MAPTMAPK1KDM4ENSD2P4HB
SCHEMBL14207786 0.77 MAPT (0.73) MAPTMAPK1KDM4ENSD2P4HB
SCHEMBL26804289 0.76 MAPK1 (0.43) MAPTMAPK1KDM4ENSD2CDC25A
SCHEMBL4469259 0.76 MAPK1 (0.56) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL4465042 0.76 MAPT (0.89) MAPTMAPK1KDM4ENSD2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236786-B1 Guest-host liquid crystal composition and guest-host liquid crystal display device TOSHIBA KK (JP) 2008-10-08 EP disclosed