SCHEMBL6957665

SCHEMBL6957665

NCc1c(-c2ccccc2)nc2ccccc2c1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.65
PDE10A Q9Y233 5/20 0.65
LMNA P02545 3/20 0.65
TSHR P16473 1/20 0.63
POLB P06746 1/20 0.60
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
TACR3 P29371 4/20 0.48
TACR2 P21452 1/20 0.48

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
SCHEMBL1581252 0.84 DHODH (0.65) DHODHPDE10ALMNATSHRPOLB
SCHEMBL8267472 0.84 LMNA (0.82) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4245187 0.84 DHODH (0.65) DHODHPDE10ALMNATSHRPOLB
SCHEMBL14492079 0.84 PDE10A (0.68) DHODHPDE10ALMNATSHRPOLB
SCHEMBL28250898 0.82 LMNA (0.73) DHODHPDE10ALMNATSHRPOLB
SCHEMBL3908668 0.82 DHODH (0.71) DHODHPDE10ALMNATSHRPOLB
SCHEMBL27669534 0.82 DHODH (0.61) DHODHPDE10ALMNATSHRPOLB
SCHEMBL28250067 0.82 DHODH (0.61) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4665929 0.81 TACR3 (0.64) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4234917 0.81 DHODH (0.60) DHODHPDE10ALMNATSHRPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337253-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2003-08-27 EP disclosed
WO-2002043734-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE SPA (IT) 2002-06-06 WO disclosed