SCHEMBL8525843

SCHEMBL8525843

Cc1nn(C)c(OCc2ccccc2)c1C(=O)c1ccc(-n2cncn2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.39
MAPK10 P53779 1/20 0.38
ABCB1 P08183 2/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ALKBH1 Q13686 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LRRK2 Q5S007 1/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 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
SCHEMBL8525951 0.89 MAPT (0.41) MAPK10ABCB1SMN1; SMN2HSP90AA1MAPT
SCHEMBL8652662 0.87 MAPT (0.36) MAPK10ABCB1SMN1; SMN2HSP90AA1MAPT
SCHEMBL8524369 0.87 PTGER1 (0.44) PTGER1ABCB1LMNASMN1; SMN2HSP90AA1
SCHEMBL8524143 0.87 LRRK2 (0.38) MAPK10SMN1; SMN2HSP90AA1MAPTHTT
SCHEMBL8525817 0.86 MAPK10 (0.36) MAPK10ABCB1LMNASMN1; SMN2HSP90AA1
SCHEMBL8525613 0.86 MAPK10 (0.40) PTGER1MAPK10LMNASMN1; SMN2HSP90AA1
SCHEMBL8525055 0.85 MAPK10 (0.35) MAPK10ABCB1SMN1; SMN2HSP90AA1MAPT
SCHEMBL8524723 0.85 MAPK10 (0.35) MAPK10ABCB1LMNASMN1; SMN2HSP90AA1
SCHEMBL8524608 0.82 MAPT (0.35) MAPK10LMNASMN1; SMN2HSP90AA1MAPT
SCHEMBL8524684 0.81 MAPT (0.33) MAPK10ABCB1LMNASMN1; SMN2HSP90AA1

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-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed