SCHEMBL16636486

SCHEMBL16636486

CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2cccc(F)c2F)s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IL2 P60568 3/20 0.37
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
STIM1 Q13586 3/20 0.33
ORAI1 Q96D31 3/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRM4 Q14833 1/20 0.31

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
SCHEMBL16636877 0.93 SMN1; SMN2 (0.38) IL2MAPTPOLBALOX15MAPK1
SCHEMBL16636755 0.91 IL2 (0.45) IL2POLBSTIM1ORAI1ALDH1A1
SCHEMBL16636870 0.84 IL2 (0.37) IL2POLBALOX15MAPK1STIM1
SCHEMBL17997393 0.83 CYP1A2 (0.38) MAPTALOX15MAPK1ALDH1A1HPGD
SCHEMBL16636669 0.81 POLB (0.41) IL2MAPTPOLBALOX15STIM1
SCHEMBL16636656 0.79 IL2 (0.49) IL2MAPTSTIM1ORAI1ALDH1A1
SCHEMBL16636856 0.78 MAPT (0.45) MAPTPOLBALDH1A1HPGDMEN1
SCHEMBL16636934 0.77 IL2 (0.47) IL2STIM1ORAI1MEN1KMT2A
SCHEMBL16637637 0.76 KDM4E (0.39) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL16636716 0.75 IL2 (0.45) IL2MAPTSTIM1ORAI1MEN1

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-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 WO disclosed