SCHEMBL17801073

SCHEMBL17801073

FC(F)(F)Cc1nnc(-c2ccc3c(c2)c(Br)nn3C2CCCCO2)o1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PLAT P00750 1/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 3/20 0.31
MAPT P10636 3/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 2/20 0.30
MEN1 O00255 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL17801094 0.85 PLK1 (0.35) TLR8TLR7RXRARXRBRXRG
SCHEMBL31319478 0.76 PIM1 (0.37) RXRARXRBRXRGKMT2AMEN1
SCHEMBL9904375 0.75 CYP4F2 (0.38) RXRARXRBRXRGMAPTLMNA
SCHEMBL17801066 0.75 HCRTR1 (0.40) RXRARXRBRXRG
SCHEMBL30182911 0.74 MAPT (0.38) RXRARXRBRXRGRAB9AKMT2A
SCHEMBL17801065 0.73 ALDH1A1 (0.46) TLR8TLR7KMT2AMAPTTSHR
SCHEMBL5377785 0.73 ATM (0.36) RXRARXRBRXRGMAPTLMNA
SCHEMBL4084909 0.73 RXRA (0.36) RXRARXRBRXRG
SCHEMBL22160453 0.72 CYP4F2 (0.39) RXRARXRBRXRGLMNAALDH1A1
SCHEMBL30950223 0.72 CYP4F2 (0.39) RXRARXRBRXRGRAB9AKMT2A

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-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed