SCHEMBL14199145

SCHEMBL14199145

CSNc1ccc(C)c(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 19/20 0.61
NR1H2 P55055 18/20 0.61
RXRA P19793 2/20 0.57
MEN1 O00255 1/20 0.56
NR1I2 O75469 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
VHL P40337 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL14199143 0.92 NR1H3 (0.59) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL14199144 0.92 NR1H3 (0.59) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL14199146 0.91 NR1H3 (0.59) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL14227723 0.90 NR1H3 (0.49) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4948669 0.86 NR1H3 (0.62) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4952076 0.86 NR1H3 (0.71) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4949562 0.85 NR1H3 (0.66) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL14199152 0.84 NR1H3 (0.56) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3978331 0.83 NR1H3 (0.77) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3979781 0.83 NR1H3 (0.68) NR1H3NR1H2RXRAMEN1NR1I2

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-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed