SCHEMBL16610035

SCHEMBL16610035

CC(=O)c1cc(F)c(F)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
MAPK14 Q16539 1/20 0.38
ERN1 O75460 1/20 0.37
USP47 Q96K76 2/20 0.37
USP7 Q93009 2/20 0.37
USP10 Q14694 1/20 0.37
PNMT P11086 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
GSK3B P49841 1/20 0.35
KIF11 P52732 1/20 0.33

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
SCHEMBL24993294 0.80 KDM4E (0.42) CLK1DYRK1ADYRK1BMAPK14ERN1
SCHEMBL21963090 0.74 CA2 (0.41) CLK1DYRK1ADYRK1BMAPK14ERN1
SCHEMBL6089271 0.69 SLC9A1 (0.60) CLK1DYRK1ADYRK1BL3MBTL1ALDH1A1
SCHEMBL3838638 0.65
SCHEMBL15041008 0.65 GPR35 (0.64) CLK1DYRK1ADYRK1BPNMTL3MBTL1
SCHEMBL5850753 0.65 MAPT (0.68) CLK1DYRK1ADYRK1BPNMTL3MBTL1
SCHEMBL17988510 0.65 CLK1 (0.67) CLK1DYRK1ADYRK1BL3MBTL1LMNA
SCHEMBL2872059 0.64 GSK3B (0.67) CLK1DYRK1ADYRK1BERN1L3MBTL1
SCHEMBL16414464 0.64 THRB (0.33) L3MBTL1MAPTALDH1A1NPSR1TP53
SCHEMBL21963324 0.64

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-2015043364-A1 BENZOXAZOLEOXAZINE KETONE COMPOUND AS BLOOD COAGULATION FACTOR XA INHIBITOR 华北制药集团新药研究开发有限责任公司 2015-04-02 WO disclosed