SCHEMBL172532

SCHEMBL172532

BCc1cc(C#N)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRG P48443 1/20 0.46
KIF11 P52732 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
XDH P47989 1/20 0.38
MRGPRX4 Q96LA9 4/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
IDO1 P14902 2/20 0.36
TACR1 P25103 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
USP2 O75604 1/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
VNN1 O95497 1/20 0.32

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
SCHEMBL17319636 0.83 RXRA (0.47) RXRARXRGKIF11L3MBTL1XDH
SCHEMBL130428 0.81 RXRA (0.46) RXRARXRGKIF11L3MBTL1XDH
SCHEMBL172834 0.81 RXRA (0.46) RXRARXRGKIF11L3MBTL1XDH
SCHEMBL2390020 0.81 RXRA (0.49) RXRARXRGKIF11L3MBTL1XDH
SCHEMBL169517 0.81 RXRA (0.46) RXRARXRGKIF11L3MBTL1XDH
SCHEMBL24108532 0.81 RXRA (0.46) RXRARXRGKIF11L3MBTL1XDH
SCHEMBL129227 0.81 RXRA (0.49) RXRARXRGKIF11L3MBTL1XDH
SCHEMBL29812995 0.81 RXRA (0.46) RXRARXRGKIF11L3MBTL1XDH
SCHEMBL11984113 0.80 IDO1 (0.52) RXRARXRGIDO1TACR1CYP2D6
SCHEMBL1334073 0.80 KIF11 (0.52) RXRARXRGKIF11XDHMRGPRX4

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-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed