SCHEMBL21377196

SCHEMBL21377196

Cn1nc(-c2ccc(OC(F)(F)F)cc2)cc1CN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SCN5A Q14524 3/20 0.42
CYP1A2 P05177 2/20 0.42
F2RL3 Q96RI0 1/20 0.41
GCGR P47871 3/20 0.40
PRMT6 Q96LA8 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
TDP2 O95551 1/20 0.39
NPY5R Q15761 1/20 0.39
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
ACP1 P24666 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL2424704 0.86 MAPT (0.45) MAPTMAPK1KDM4EGAARECQL
SCHEMBL508983 0.86 MAPT (0.45) MAPTMAPK1KDM4EGAARECQL
SCHEMBL508428 0.86 MAPT (0.45) MAPTMAPK1KDM4EGAARECQL
SCHEMBL2422616 0.86 MAPT (0.45) MAPTMAPK1KDM4EGAARECQL
SCHEMBL5549267 0.85 MAPT (0.44) MAPTMAPK1KDM4EGAARECQL
SCHEMBL27875557 0.84 MAPT (0.44) MAPTMAPK1KDM4EGAARECQL
SCHEMBL2424125 0.84 MAPT (0.44) MAPTMAPK1KDM4EGAARECQL
SCHEMBL2425009 0.83 MAPT (0.43) MAPTMAPK1KDM4EGAARECQL
SCHEMBL15814004 0.82 MAPT (0.62) MAPTMAPK1KDM4EGAARECQL
SCHEMBL2430111 0.82 GCGR (0.47) MAPTMAPK1KDM4EGAAGCGR

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-3101015-B1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO LTD (JP) 2019-09-18 EP disclosed