SCHEMBL9541379

SCHEMBL9541379

CC=Cn1c(Cc2ccc(Br)cc2)c(CCC(=O)O)c2ccc(Br)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 2/20 0.41
CTDSP1 Q9GZU7 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38
MAPK8 P45983 1/20 0.35
PPARD Q03181 2/20 0.34
FFAR1 O14842 3/20 0.34
FFAR4 Q5NUL3 2/20 0.34
POLB P06746 2/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDGFRB P09619 2/20 0.33
FGFR1 P11362 2/20 0.33
KDR P35968 2/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL9541268 0.77 GPR17 (0.41) GPR17CTDSP1EGLN1MAPK8PPARD
SCHEMBL9541340 0.73 PDE3B (0.37) MEN1KMT2APDE3BPDE3A
SCHEMBL9540970 0.70 GPR17 (0.52) GPR17CTDSP1FFAR1FFAR4PDE3B
SCHEMBL8878029 0.63 PTGS2 (0.62)
SCHEMBL5455 0.61 FFAR1 (0.71) PPARDFFAR1FFAR4MAPTIDO1
SCHEMBL25492622 0.61 EGLN1 (0.53) GPR17EGLN1FFAR1FFAR4MAPT
Hydrochloric Acid SCHEMBL6440989 0.60 FFAR1 (0.69) PPARDFFAR1FFAR4MAPTIDO1
SCHEMBL20120068 0.60 EGLN1 (0.52) GPR17CTDSP1EGLN1MAPT
SCHEMBL18509730 0.60 PLA2G4A (0.47) GPR17EGLN1MAPT
SCHEMBL9186131 0.59 GPR17 (1.00) GPR17

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-1993014086-A1 SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-07-22 WO disclosed