SCHEMBL6662449

SCHEMBL6662449

O=c1c2c(ncn2Cc2ccccc2)n(-c2ccccc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
HIF1A Q16665 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ADORA2B P29275 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
KMT2A Q03164 5/20 0.58
PDE4A P27815 3/20 0.58
PDE4B Q07343 2/20 0.58
PDE4C Q08493 2/20 0.58
PDE4D Q08499 2/20 0.58
MAPK8 P45983 2/20 0.56
MAPK9 P45984 2/20 0.56
MEN1 O00255 3/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
PDE1A P54750 1/20 0.54
PDE1B Q01064 1/20 0.54
PDE1C Q14123 1/20 0.54

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
SCHEMBL20989098 0.93 POLB (0.56) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL13986116 0.91 POLB (0.59) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL6660921 0.89 KMT2A (0.54) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL27482324 0.88 POLB (0.56) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL8656845 0.87 POLB (0.55) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL1945875 0.86 KMT2A (0.69) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL8656848 0.86 POLB (0.59) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL6665236 0.86 KMT2A (0.51) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL7608741 0.85 POLB (0.53) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL20989108 0.85 PDE4A (0.57) POLBHIF1ASMN1; SMN2ADORA2BRXFP1

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-1257552-B1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS AVENTIS PHARMA SA (FR) 2004-08-18 EP disclosed