SCHEMBL13646992

SCHEMBL13646992

O=C(NCc1ccccc1Cl)Nc1ccccc1-c1nc(O)c(O)c(C(=O)O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CASR P41180 1/20 0.41
ANO1 Q5XXA6 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3835094 0.89 RAB9A (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3836880 0.84 RAB9A (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5129395 0.83 ALDH1A1 (0.43) RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5117566 0.80 HTT (0.41) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5130220 0.76 KMT2A (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5121680 0.75 RAB9A (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5117252 0.75 SMN1; SMN2 (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5122018 0.71 DGAT2 (0.42) RAB9AKMT2AMEN1ROCK2ROCK1
SCHEMBL27953140 0.70 NPC1 (0.77) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3835063 0.69 SLC40A1 (0.45) SMN1; SMN2KDM4ETSHR

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-1309566-B1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-07 EP disclosed