SCHEMBL14199149

SCHEMBL14199149

FC(F)(F)CSNc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 19/20 0.67
NR1H2 P55055 18/20 0.67
RXRA P19793 2/20 0.67
MEN1 O00255 1/20 0.65
NR1I2 O75469 1/20 0.65
ALDH1A1 P00352 1/20 0.65
MAPT P10636 1/20 0.65
VHL P40337 1/20 0.65
RECQL P46063 1/20 0.65
BLM P54132 1/20 0.65
KMT2A Q03164 1/20 0.65

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
SCHEMBL14199147 0.92 NR1H3 (0.67) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL14199150 0.90 NR1H3 (0.69) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4951771 0.90 NR1H3 (0.73) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL14199148 0.88 NR1H3 (0.70) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL14199146 0.88 NR1H3 (0.59) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4945615 0.87 NR1H3 (0.70) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4948361 0.87 NR1H3 (0.72) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4947609 0.85 NR1H3 (0.73) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL14199129 0.85 NR1H3 (0.70) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4950299 0.85 NR1H3 (0.70) 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 2 patents. 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
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed