SCHEMBL2365401

SCHEMBL2365401

Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(CCF)n1-c1ccc(Cl)cc1C(F)(F)F.Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(CCO)n1-c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.81
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
CA7 P43166 3/20 0.41
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NT5E P21589 1/20 0.40
CA12 O43570 2/20 0.39
TMPRSS4 Q9NRS4 2/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2548930 0.97 NR3C2 (0.85) NR3C2ALDH1A1LMNAPOLBCA1
SCHEMBL2548305 0.97 NR3C2 (0.75) NR3C2ALDH1A1LMNAPOLBCA1
SCHEMBL2365487 0.91 NR3C2 (0.67) NR3C2ALDH1A1CA1CA2CA9
SCHEMBL2357173 0.90 NR3C2 (1.00) NR3C2LMNAPOLBTMPRSS4
SCHEMBL2365402 0.89 NR3C2 (0.65) NR3C2ALDH1A1LMNAPOLBCA1
SCHEMBL2545125 0.88 NR3C2 (0.70) NR3C2ALDH1A1CA1CA2CA9
SCHEMBL2548973 0.87 NR3C2 (0.61) NR3C2ALDH1A1CA1CA2CA9
SCHEMBL2359038 0.80 NR3C2 (0.82) NR3C2
SCHEMBL2365488 0.80 NR3C2 (0.54) NR3C2CA1CA2CA9CA7
SCHEMBL2357087 0.80 NR3C2 (0.81) NR3C2LMNAPOLBTMPRSS4

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-2349996-A1 1-PHENYLPYRROLE COMPOUNDS Exelixis, Inc. (US) 2011-08-03 EP disclosed
WO-2010042626-A1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS, INC. (US) 2010-04-15 WO disclosed