SCHEMBL14623710

SCHEMBL14623710

CC(c1cccnc1)N(C)C(=O)c1ccc(-c2cc(C(C)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.44
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 4/20 0.44
GRM1 Q13255 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.36
NR3C2 P08235 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
SLC16A3 O15427 4/20 0.35
SLC16A1 P53985 4/20 0.35
LIMK2 P53671 2/20 0.35
KCNA5 P22460 2/20 0.35
IDH1 O75874 1/20 0.34
SLC5A1 P13866 1/20 0.34
PTGS2 P35354 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
SCHEMBL3473146 0.94 RXRA (0.51) RXRANR1H2NR1H3GRM1TRPM8
SCHEMBL3471474 0.87 RXRA (0.52) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3473564 0.78 RXRA (0.51) RXRANR1H2NR1H3NR3C2SLC16A3
SCHEMBL3473562 0.78 RXRA (0.51) RXRANR1H2NR1H3NR3C2SLC16A3
SCHEMBL3472163 0.77 RXRA (0.60) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3473683 0.77 RXRA (0.49) RXRANR1H2NR1H3NR3C2GPBAR1
SCHEMBL3472639 0.76 RXRA (0.54) RXRANR1H2NR1H3NR3C2GPBAR1
SCHEMBL3471729 0.76 RXRA (0.60) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3471066 0.75 RXRA (0.47) RXRANR1H2NR1H3NR3C2IDH1
SCHEMBL14624835 0.75 RXRA (0.51) RXRANR1H2NR1H3NR3C2SLC16A3

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-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed