SCHEMBL4590779

SCHEMBL4590779

FC(F)(F)c1ccc(CN(c2ccccc2)c2ccc(Br)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.44
TRPM8 Q7Z2W7 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
KCNH2 Q12809 1/20 0.36
AR P10275 1/20 0.35
MAPT P10636 1/20 0.35
LIPE Q05469 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MTOR P42345 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL22453524 0.71 GBA1 (0.44) GBA1HTTKDM4ELMNAGAA
SCHEMBL6922536 0.70 HDAC1 (0.56) HTTKDM4ELMNASMN1; SMN2HDAC1
Oxalic Acid SCHEMBL8326149 0.69 AR (0.39) HDAC1HDAC8HDAC6ARMTOR
SCHEMBL30395614 0.69 GBA1 (0.41) GBA1SMN1; SMN2MAPTKMT2APTGIR
SCHEMBL25260665 0.69 GBA1 (0.41) GBA1SMN1; SMN2MAPTKMT2APTGIR
SCHEMBL16231504 0.67 GBA1 (0.53) GBA1KDM4ESMN1; SMN2MAPTL3MBTL1
SCHEMBL31217239 0.67 EGFR (0.44) GBA1HTTKDM4ESMN1; SMN2MAPT
SCHEMBL28281535 0.67 NR1H2 (0.62) HTTKDM4ELMNAGAASMN1; SMN2
SCHEMBL8497602 0.66 ALDH1A1 (0.48) TSHRMTORMEN1KMT2A
SCHEMBL9446233 0.65 NR3C2 (0.51) HTTHDAC1HDAC8HDAC6KCNH2

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-2008064265-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 WO disclosed