SCHEMBL5027409

SCHEMBL5027409

Cc1cc(/C=C/c2c(F)cccc2F)c(-c2ncco2)cc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.38
EDNRB P24530 3/20 0.36
EDNRA P25101 3/20 0.36
IL2 P60568 1/20 0.36
HPGDS O60760 1/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KDM4E B2RXH2 1/20 0.33
IMPDH2 P12268 1/20 0.33
KCNH2 Q12809 3/20 0.33
DHODH Q02127 1/20 0.33
LTA4H P09960 1/20 0.33
NTRK1 P04629 1/20 0.33
BRD4 O60885 1/20 0.32
HPGD P15428 1/20 0.32
PIK3R2 O00459 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
SCHEMBL5030761 0.76 IL2 (0.49) NFE2L2EDNRBEDNRAIL2KCNH2
SCHEMBL5030758 0.76 IL2 (0.49) NFE2L2EDNRBEDNRAIL2KCNH2
SCHEMBL8628488 0.69 HPGDS (0.51) EDNRBEDNRAIL2HPGDSIMPDH2
SCHEMBL27448711 0.69 HPGDS (0.47) EDNRBEDNRAHPGDSIMPDH2LTA4H
SCHEMBL5027336 0.68 IL2 (0.48) EDNRBEDNRAIL2HCRTR1HCRTR2
SCHEMBL5027329 0.68 IL2 (0.48) EDNRBEDNRAIL2HCRTR1HCRTR2
SCHEMBL30632951 0.68 NFE2L2 (0.44) NFE2L2KDM4EKCNH2HPGD
SCHEMBL5028468 0.68 IL2 (0.54) IL2HPGD
SCHEMBL5028469 0.68 IL2 (0.54) IL2HPGD
SCHEMBL5029757 0.66 IL2 (0.48) EDNRBEDNRAIL2KDM4E

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-1983971-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
WO-2007087441-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed