SCHEMBL7987348

SCHEMBL7987348

O=C(Nc1oc(-c2ccc(-c3cccc(Cl)c3)cc2O)nc1C1=CC=CCC1=S)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.44
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
MAPT P10636 6/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GRM5 P41594 1/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2A P29274 1/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 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
SCHEMBL7744779 0.93 KDR (0.43) KDRFLT1FLT4MAPTNPC1
SCHEMBL7979629 0.89 KDR (0.39) KDRFLT1FLT4MAPTNPC1
SCHEMBL7744761 0.88 HPN (0.46) KDRFLT1FLT4MAPTNPC1
SCHEMBL7982878 0.87 MAPT (0.44) KDRFLT1FLT4MAPTNPC1
SCHEMBL7744196 0.85 KDR (0.54) KDRFLT1FLT4MAPTNPC1
SCHEMBL7744059 0.83 KDR (0.53) KDRFLT1FLT4MAPTNPC1
SCHEMBL7969457 0.82 KDR (0.42) KDRFLT1FLT4MAPTNPC1
SCHEMBL7986670 0.80 KDR (0.50) KDRFLT1FLT4NPC1RAB9A
SCHEMBL7744056 0.80 HPGD (0.42) KDRFLT1FLT4MAPTNPC1
SCHEMBL7985537 0.78 KDR (0.53) KDRFLT1FLT4MAPTADORA1

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
US-6235909-B1 HYDROLYZING AND DECARBOXYLATING 2-HYDROXY-3-CYANO-4-METHOXY PYRIDINE TO GIVE 2,4-DIHYDROXYPYRIDINE, FOLLOWED BY NITRATION TO PREPARE 4-HYDROXY-3-NITRO-2(1H)-PYRIDONE AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-05-22 US disclosed