SCHEMBL4658373

SCHEMBL4658373

CC(C)(C)OC(=O)N(Cc1ccccc1F)c1ccc(COc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
ATM Q13315 1/20 0.33
CXCR3 P49682 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33
HTT P42858 1/20 0.32
BRD4 O60885 1/20 0.32
MCL1 Q07820 1/20 0.32
HTR2C P28335 3/20 0.31
SLC6A4 P31645 3/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
KMT2A Q03164 2/20 0.31
CYP2C9 P11712 1/20 0.31
PTGER1 P34995 1/20 0.31
MEN1 O00255 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PTPN1 P18031 1/20 0.30
HTR6 P50406 1/20 0.30
SLC1A5 Q15758 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
SCHEMBL3842766 0.86 ATM (0.33) SMN1; SMN2ATMCXCR3BRD4HTR2C
SCHEMBL1268407 0.85 ATM (0.34) SMN1; SMN2ATMBRD4
SCHEMBL4626768 0.74 BRD4 (0.38) SMN1; SMN2BRD4HTR2CKMT2APTGER1
SCHEMBL3840763 0.69 BRAF (0.42) CYP2C9
SCHEMBL1268133 0.67 RIPK1 (0.39) SMN1; SMN2ATMHTR2CSLC6A4KMT2A
SCHEMBL1267213 0.66 KCNH2 (0.34) BRD4HTR6HTR2A
SCHEMBL12252448 0.66 NTRK1 (0.35) BRD4HTR6
SCHEMBL1881855 0.66 MMP1 (0.36) TAS2R14HTR6HTR2A
SCHEMBL16997458 0.65 HTR6 (0.39) HTR6HTR2AF2
SCHEMBL1266811 0.64 BRD4 (0.40) BRD4HTR2CHTR6HTR2A

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-2008063888-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 WO disclosed