SCHEMBL20193373

SCHEMBL20193373

CCCCCCS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)s2)c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.78
NR1H2 P55055 6/20 0.78
NR1H3 Q13133 6/20 0.78
BRD4 O60885 2/20 0.32
RIPK3 Q9Y572 2/20 0.31
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNK3 O14649 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PRF1 P14222 1/20 0.30

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
SCHEMBL2388722 0.92 NR1H2 (0.86) RXRANR1H2NR1H3BRD4RIPK3
SCHEMBL2389217 0.89 RXRA (0.70) RXRANR1H2NR1H3BRD4RIPK3
SCHEMBL2389317 0.88 RXRA (0.69) RXRANR1H2NR1H3BRD4
SCHEMBL2390377 0.88 NR1H2 (1.00) RXRANR1H2NR1H3RIPK3MAPK14
SCHEMBL2390225 0.86 RXRA (0.80) RXRANR1H2NR1H3RIPK3MAPK14
SCHEMBL2387937 0.85 RXRA (0.78) RXRANR1H2NR1H3BRD4MAPK14
SCHEMBL2389166 0.85 RXRA (0.71) RXRANR1H2NR1H3BRD4ALDH1A1
SCHEMBL2387438 0.85 RXRA (0.70) RXRANR1H2NR1H3BRD4MAPK14
SCHEMBL14214290 0.84 RXRA (0.81) RXRANR1H2NR1H3MAPK14ALDH1A1
SCHEMBL2387653 0.84 NR1H2 (0.74) RXRANR1H2NR1H3BRD4ALDH1A1

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
US-9981913-B2 Liver X receptor (LXR) modulators RALEXAR THERAPEUTICS, INC. (US) 2018-05-29 US disclosed