SCHEMBL8320581

SCHEMBL8320581

Cn1c(=O)c2ccccc2c2nn(-c3ccc(C(F)(F)F)cc3)c(O)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SYK P43405 1/20 0.43
PGR P06401 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MPI P34949 1/20 0.40
PHOSPHO1 Q8TCT1 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
NR1H3 Q13133 1/20 0.40
MAPK1 P28482 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ATM Q13315 1/20 0.39
RAB9A P51151 1/20 0.39
CTDSP1 Q9GZU7 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
SCHEMBL8321791 0.85 L3MBTL1 (0.39) NPSR1KDM4ESYKTRPV1ALDH1A1
SCHEMBL8462289 0.85 MAPT (0.47) NPSR1KDM4ESYKTRPV1MPI
SCHEMBL8324852 0.84 GAA (0.53) NPSR1KDM4ESYKLMNAADORA3
SCHEMBL8460257 0.83 NPSR1 (0.46) NPSR1KDM4ESYKPGRTRPV1
SCHEMBL8523766 0.81 KDM4E (0.39) KDM4ELMNAPOLBALDH1A1KMT2A
SCHEMBL8322601 0.79 NPSR1 (0.41) NPSR1KDM4ESYKTRPV1LMNA
SCHEMBL8322607 0.77 MEN1 (0.43) NPSR1KDM4ETRPV1ALDH1A1KMT2A
SCHEMBL8324351 0.77 MAPT (0.46) KDM4ELMNAPOLBALDH1A1KMT2A
SCHEMBL8522571 0.76 ADORA3 (0.47) NPSR1KDM4ESYKPGRTRPV1
SCHEMBL8328108 0.72 MAPT (0.40) NPSR1KDM4ESYKTRPV1MPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888347-A1 PHARMACEUTICALLY USEFUL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-01-07 EP disclosed
WO-1997034893-A1 PHARMACEUTICALLY USEFUL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-09-25 WO disclosed