SCHEMBL8235702

SCHEMBL8235702

COOCc1nc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c(C)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 8/20 0.44
TNF P01375 1/20 0.44
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
NOD2 Q9HC29 1/20 0.43
SMO Q99835 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL15578107 0.86 IL2 (0.48) IL2TNFSTIM1ORAI1MEN1
SCHEMBL8227596 0.86 IL2 (0.44) IL2TNFSTIM1ORAI1MEN1
SCHEMBL15578292 0.84 IL2 (0.47) IL2TNFSTIM1ORAI1MEN1
SCHEMBL15578356 0.83 IL2 (0.46) IL2TNFSTIM1ORAI1MEN1
SCHEMBL15578373 0.81 HTT (0.51) IL2TNFSTIM1ORAI1MEN1
SCHEMBL5033824 0.81 IL2 (0.47) IL2TNFSTIM1ORAI1MEN1
SCHEMBL8233602 0.80 IL2 (0.48) IL2TNFSTIM1ORAI1MEN1
SCHEMBL8227593 0.80 MEN1 (0.54) IL2TNFSTIM1ORAI1MEN1
SCHEMBL15578350 0.78 IL2 (0.48) IL2TNFSTIM1ORAI1MEN1
SCHEMBL15578070 0.78 IL2 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed