SCHEMBL9541268

SCHEMBL9541268

O=C(O)CCc1c(Cc2ccc(Br)cc2)n(C2CCC2)c(=O)c2cc(Br)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.37
EGLN1 Q9GZT9 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MAPK8 P45983 2/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
RAB9A P51151 1/20 0.33
PPARD Q03181 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
SCHEMBL9541379 0.77 GPR17 (0.41) GPR17CTDSP1EGLN1FFAR1FFAR4
SCHEMBL9540970 0.72 GPR17 (0.52) GPR17CTDSP1FFAR1FFAR4
SCHEMBL25371544 0.62 MAPK8 (0.67) MAPK8
SCHEMBL5455 0.61 FFAR1 (0.71) FFAR1FFAR4ALDH1A1HSD17B10MAPT
SCHEMBL8878029 0.61 PTGS2 (0.62)
Hydrochloric Acid SCHEMBL6440989 0.60 FFAR1 (0.69) FFAR1FFAR4ALDH1A1HSD17B10MAPT
SCHEMBL20120068 0.60 EGLN1 (0.52) GPR17CTDSP1EGLN1ALDH1A1KDM4E
SCHEMBL18509730 0.60 PLA2G4A (0.47) GPR17EGLN1MAPTSRC
SCHEMBL29001054 0.59 MAPT (0.46) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL9186131 0.59 GPR17 (1.00) GPR17ALDH1A1KDM4E

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