SCHEMBL5030848

SCHEMBL5030848

Cc1oc(C(=O)O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL2 P60568 13/20 0.53
TNF P01375 1/20 0.52
STIM1 Q13586 1/20 0.52
ORAI1 Q96D31 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGER4 P35408 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
HTT P42858 1/20 0.46
NOD2 Q9HC29 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL2886416 0.88 IL2 (0.52) IL2TNFSTIM1ORAI1MEN1
SCHEMBL15249596 0.86 IL2 (0.56) IL2TNFSTIM1ORAI1MEN1
SCHEMBL5027397 0.85 IL2 (0.51) IL2TNFSTIM1ORAI1MEN1
SCHEMBL8233602 0.78 IL2 (0.48) IL2TNFSTIM1ORAI1MEN1
SCHEMBL4762822 0.77 IL2 (0.60) IL2TNFSTIM1ORAI1MEN1
SCHEMBL5029739 0.76 IL2 (0.50) IL2TNFSTIM1ORAI1MEN1
SCHEMBL12093752 0.76 IL2 (0.57) IL2TNFSTIM1ORAI1MEN1
SCHEMBL5033790 0.76 IL2 (0.48) IL2TNFSTIM1ORAI1MEN1
SCHEMBL1828207 0.75 IL2 (0.63) IL2TNFSTIM1ORAI1MEN1
SCHEMBL4770059 0.74 IL2 (0.62) IL2TNFSTIM1ORAI1MEN1

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-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed