SCHEMBL18152489

SCHEMBL18152489

CCC(c1cc(S(=O)(=O)O)ccc1C)c1ccc(C(N)=O)cc1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
RORC P51449 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
IKBKB O14920 2/20 0.35
CHUK O15111 2/20 0.35
CHRNA7 P36544 4/20 0.35
PTGS1 P23219 1/20 0.34
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.33
CTSA P10619 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 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
SCHEMBL18152491 0.76 HTR2A (0.37) RORCMKNK1MKNK2IKBKBCHUK
SCHEMBL18165201 0.72 MAPK14 (0.52) RORCMKNK1MKNK2PTGS1
SCHEMBL8586535 0.71 HTT (0.39)
SCHEMBL778956 0.70 PTGS2 (0.50) PTGS1PTGS2
SCHEMBL28564255 0.68 LMNA (0.42)
SCHEMBL600325 0.66 ALDH1A1 (0.36)
SCHEMBL9568576 0.66 HTT (0.38)
SCHEMBL776507 0.65 HTT (0.39)
SCHEMBL9615906 0.65 HTT (0.43) RORCKMT2A
SCHEMBL10094453 0.64 PTGS1 (0.48) ROCK2MKNK1MKNK2PTGS1

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-2016168524-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-10-20 WO disclosed