SCHEMBL5497084

SCHEMBL5497084

O=C(O)Oc1c(O)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.60
PDE10A Q9Y233 2/20 0.60
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.48
TACR3 P29371 8/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
TACR2 P21452 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TACR1 P25103 1/20 0.44
OPRM1 P35372 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18075841 0.84 DHODH (0.51) DHODHPDE10AMEN1KMT2AL3MBTL1
SCHEMBL18075813 0.83 PDE10A (0.61) DHODHPDE10ALMNATSHRTACR3
SCHEMBL8794990 0.82 DHODH (0.51) DHODHPDE10ALMNATSHRTACR3
SCHEMBL9502231 0.81 DHODH (0.67) DHODH
SCHEMBL5183047 0.79 POLB (0.55) PDE10ALMNATSHRMEN1KMT2A
SCHEMBL4729382 0.79 ERN1 (0.54) DHODHPDE10ALMNAMEN1KMT2A
SCHEMBL9505833 0.79 DHODH (0.50) DHODHPDE10ALMNATSHRTACR3
Water SCHEMBL8130350 0.78 POLB (0.53) PDE10ALMNATSHRMEN1KMT2A
SCHEMBL3434573 0.76 DHODH (0.66) DHODHPDE10ALMNATSHRMEN1
SCHEMBL8794864 0.76 KDM4E (0.50) DHODHPDE10ALMNAL3MBTL1

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-1017676-B1 METHOD FOR THE SYNTHESIS OF QUINOLINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2007-02-14 EP claimed