SCHEMBL5598084

SCHEMBL5598084

Cc1ccc(Cn2c(-c3ccc(Sc4cccc(S(C)(=O)=O)c4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.54
NR1H3 Q13133 4/20 0.54
RXRA P19793 3/20 0.54
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.34
MAPT P10636 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
AR P10275 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4897920 0.87 NR1H2 (0.62) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL5809163 0.86 RXRA (0.53) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL4902079 0.84 NR1H2 (0.55) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2266112 0.83 NR1H2 (0.56) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2389304 0.83 NR1H2 (0.77) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2263811 0.81 NR1H2 (0.59) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2264167 0.81 NR1H2 (0.51) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2264755 0.80 NR1H2 (0.52) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2262363 0.80 NR1H2 (0.52) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL12390451 0.80 NR1H2 (0.52) NR1H2NR1H3RXRAALDH1A1KDM4E

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-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO claimed