SCHEMBL5598178

SCHEMBL5598178

CN(C)C(=O)c1cccc(-c2ccccc2)c1-c1cc(C(F)(F)F)c(C#N)c(=O)n1Cc1ccc(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.58
NR1H2 P55055 3/20 0.58
NR1H3 Q13133 3/20 0.58
GNRHR P30968 5/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 1/20 0.35
MAPK14 Q16539 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KCNK3 O14649 2/20 0.34
RIPK3 Q9Y572 1/20 0.33
MAPT P10636 1/20 0.33
TACR1 P25103 1/20 0.33
USP19 O94966 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
SCHEMBL5793671 0.90 RXRA (0.61) RXRANR1H2NR1H3GNRHRKMT2A
SCHEMBL5597884 0.88 RXRA (0.57) RXRANR1H2NR1H3GNRHRKMT2A
SCHEMBL5792823 0.88 RXRA (0.43) RXRANR1H2NR1H3GNRHRKMT2A
SCHEMBL5816750 0.85 RXRA (0.61) RXRANR1H2NR1H3GNRHRKMT2A
SCHEMBL5597991 0.85 RXRA (0.59) RXRANR1H2NR1H3GNRHRKMT2A
SCHEMBL2391077 0.82 RXRA (0.59) RXRANR1H2NR1H3MAPK14KCNK3
SCHEMBL2389383 0.82 RXRA (0.61) RXRANR1H2NR1H3MAPK14KCNK3
SCHEMBL2262731 0.81 RXRA (0.83) RXRANR1H2NR1H3GNRHRKMT2A
SCHEMBL14214340 0.80 RXRA (0.75) RXRANR1H2NR1H3GNRHRKMT2A
SCHEMBL14214400 0.79 RXRA (0.84) RXRANR1H2NR1H3GNRHRKMT2A

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