SCHEMBL4335926

SCHEMBL4335926

NC(=O)C(c1cccs1)n1nc(-c2cc3ccccc3s2)c2c(F)c(C(=O)O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.35
PLAU P00749 2/20 0.35
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PRKDC P78527 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ACLY P53396 3/20 0.31

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
SCHEMBL4339893 0.88 ACLY (0.35) IKBKBPLAUALOX5PTGS1PTGS2
SCHEMBL4329361 0.84 CYP1A2 (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4341027 0.82 KDM4E (0.40) PLAUKDM4C
SCHEMBL4346820 0.81 PTGER1 (0.40) PTGER1
SCHEMBL4332493 0.80 IKBKB (0.36) IKBKBPLAUALOX5PTGS1PTGS2
SCHEMBL4335815 0.75 PIK3CD (0.35) IKBKBPLAUALOX5PTGS1PTGS2
SCHEMBL2855702 0.74 CA12 (0.38) IKBKBPLAUALOX5PTGS1PTGS2
SCHEMBL4335938 0.72 ECE1 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4334931 0.70 ACLY (0.37) IKBKBPLAUALOX5PTGS1PTGS2
SCHEMBL4332922 0.69 JAK2 (0.39) IKBKBPLAUALOX5PTGS1PTGS2

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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed