SCHEMBL9926247

SCHEMBL9926247

C/C(=N\c1ccccc1C)c1ccc(S(C)(=O)=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
SIGMAR1 Q99720 4/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PTGS2 P35354 5/20 0.34
MEN1 O00255 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
PABPC1 P11940 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
EBP Q15125 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL9901794 0.73 CA1 (0.39) RORCESR1ESR2PTGS2MEN1
SCHEMBL9901793 0.73 CA1 (0.39) RORCESR1ESR2PTGS2MEN1
SCHEMBL167454 0.72 KDM4E (0.59) SIGMAR1MEN1KMT2AP4HTM
SCHEMBL29472019 0.72 KDM4E (0.59) SIGMAR1MEN1KMT2AP4HTM
SCHEMBL244767 0.72 KDM4E (0.59) SIGMAR1MEN1KMT2AP4HTM
SCHEMBL4326059 0.72 PTGS2 (0.55) RORCPTGS2MEN1ALOX15TSHR
SCHEMBL5587360 0.71 SIGMAR1 (0.44) SIGMAR1ESR1ESR2MEN1GRIN2D
SCHEMBL5587356 0.71 SIGMAR1 (0.44) SIGMAR1ESR1ESR2MEN1GRIN2D
SCHEMBL808900 0.71 SIGMAR1 (0.46) SIGMAR1ESR1ESR2MEN1GRIN2D
SCHEMBL2229008 0.71 SIGMAR1 (0.46) SIGMAR1ESR1ESR2MEN1GRIN2D

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-2012076898-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2012-06-14 WO disclosed