SCHEMBL13637429

SCHEMBL13637429

Bc1ccc(CC#N)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
IDO1 P14902 2/20 0.34
POLQ O75417 1/20 0.34
AR P10275 2/20 0.32
KIF11 P52732 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
SCHEMBL5929043 0.80 RXRA (0.51) RXRARXRBRXRGIDO1POLQ
SCHEMBL958307 0.80 IDO1 (0.54) RXRARXRBRXRGIDO1AR
SCHEMBL25826312 0.79 RXRA (0.50) RXRARXRBRXRGIDO1POLQ
SCHEMBL549178 0.79 RXRA (0.50) RXRARXRBRXRGIDO1POLQ
SCHEMBL195493 0.79 RXRA (0.50) RXRARXRBRXRGIDO1POLQ
SCHEMBL24146520 0.79 RXRA (0.50) RXRARXRBRXRGARKIF11
SCHEMBL29507276 0.79 RXRA (0.50) RXRARXRBRXRGIDO1POLQ
SCHEMBL12069868 0.76 FFAR1 (0.36) RXRARXRBRXRG
SCHEMBL24146756 0.75 RXRA (0.45) RXRARXRBRXRGIDO1POLQ
SCHEMBL16121256 0.73 RXRA (0.59) RXRARXRBRXRGPOLQ

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-7622605-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-11-24 US disclosed