SCHEMBL6187822

SCHEMBL6187822

O=Cc1cnc2cc3c(cc2n1)OCO3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.47
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
RPS6KB2 Q9UBS0 1/20 0.37
LMNA P02545 4/20 0.37
HPGD P15428 3/20 0.37
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 3/20 0.34
PDE10A Q9Y233 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL4729387 0.76 ALDH1A1 (0.49) PAX8ALDH1A1HSD17B10TDP1PDGFRB
SCHEMBL6188659 0.74 ALDH1A1 (0.44) PAX8ALDH1A1HSD17B10PDGFRBPDGFRA
SCHEMBL30594656 0.74 ALDH1A1 (0.52) ALDH1A1PDGFRBPDGFRAL3MBTL1SMN1; SMN2
SCHEMBL27365633 0.74 ALDH1A1 (0.52) ALDH1A1PDGFRBPDGFRAL3MBTL1SMN1; SMN2
SCHEMBL4135633 0.74 ALDH1A1 (0.46) PAX8ALDH1A1HSD17B10TDP1LMNA
SCHEMBL6189191 0.71 ALDH1A1 (0.50) ALDH1A1HSD17B10PDGFRBPDGFRARPS6KB2
SCHEMBL1401306 0.70 ALDH1A1 (0.49) ALDH1A1TDP1PDGFRBPDGFRAGLA
SCHEMBL30594658 0.68 SMN1; SMN2 (0.42) ALDH1A1PDGFRBGLASMN1; SMN2MAPT
SCHEMBL29092402 0.68 SMN1; SMN2 (0.42) ALDH1A1PDGFRBGLASMN1; SMN2MAPT
SCHEMBL9763773 0.67 LMNA (0.53) ALDH1A1HSD17B10TDP1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed
EP-1196397-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMA INC (US) 2005-08-17 EP disclosed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 WO disclosed