SCHEMBL4027307

SCHEMBL4027307

NC(=O)c1cc(F)ccc1-c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
PARP1 P09874 1/20 0.50
MAP4K4 O95819 1/20 0.49
CDC7 O00311 1/20 0.48
CHEK2 O96017 2/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
MAPK1 P28482 1/20 0.47
AKT1 P31749 1/20 0.47

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
SCHEMBL28856825 0.89 TAAR1 (0.50) HPGDSPARP1MAP4K4CDC7CHEK2
SCHEMBL4026875 0.88 BCAT2 (0.61) PARP1BCAT2HTT
SCHEMBL30463456 0.88 BCAT2 (0.61) PARP1BCAT2HTT
SCHEMBL3632646 0.86 BCAT2 (0.65) HPGDSPARP1MAP4K4CDC7CHEK2
SCHEMBL29818012 0.86 BCAT2 (0.65) HPGDSPARP1MAP4K4CDC7CHEK2
SCHEMBL17796982 0.84 DCLRE1B (0.53) CHEK2PLK4AURKADAPK3CDK1
SCHEMBL31585756 0.84 DCLRE1B (0.53) CHEK2PLK4AURKADAPK3CDK1
SCHEMBL5616629 0.84 IKBKB (0.51) CDC7GSK3AGSK3BBCAT2JAK2
SCHEMBL20509706 0.84 HPGDS (0.44) HPGDSPARP1MAP4K4CDC7CHEK2
SCHEMBL28203761 0.82 KMT2A (0.48) HPGDSMAP4K4CDC7CHEK2PLK4

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
EP-1252140-B1 PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-13 EP claimed