SCHEMBL4029035

SCHEMBL4029035

Cn1c(-c2ccccc2OCc2ccc(Cl)c(Cl)c2)nc(OC(=O)O)c(O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.42
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
FFAR1 O14842 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
S1PR1 P21453 3/20 0.37
S1PR5 Q9H228 3/20 0.37
HTR6 P50406 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL4027602 0.87 PTGER1 (0.46) PTGER1PTPRCPTPN1FFAR1NPC1
SCHEMBL6017876 0.72 WDR5 (0.49) MAPTHTR6NPSR1HTR2ASMN1; SMN2
SCHEMBL4032344 0.69 COMT (0.42) MAPTNPSR1MAOB
SCHEMBL6017887 0.67 APEX1 (0.48) RAB9A
SCHEMBL19356982 0.66 HSD11B1 (0.47)
SCHEMBL6018089 0.66 TSHR (0.45) MAPTNPSR1SMN1; SMN2
SCHEMBL4739739 0.65 PTPRC (0.59) PTGER1PTPRCPTPN1NPC1RAB9A
SCHEMBL6018056 0.65 CNR1 (0.51)
SCHEMBL10815688 0.65 HTR6 (0.47) PTGER1PTPRCPTPN1FFAR1NPC1
SCHEMBL4032912 0.65 LMNA (0.44) NPC1RAB9AMAPTSMN1; SMN2

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-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP claimed