SCHEMBL544668

SCHEMBL544668

CN(C(=O)O)c1nc2cc(O)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.41
FLT3 P36888 7/20 0.38
PDGFRB P09619 2/20 0.38
ABL1 P00519 1/20 0.38
KIT P10721 1/20 0.38
BCR P11274 1/20 0.38
HTT P42858 1/20 0.36
DHODH Q02127 1/20 0.35
PLAU P00749 1/20 0.35
AMY1A P0DUB6 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDGFRA P16234 1/20 0.34
GAA P10253 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
AURKA O14965 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11096785 0.80 TDP1 (0.35) HTTPOLB
SCHEMBL251109 0.80 LMNA (0.53) HTTPOLB
SCHEMBL830501 0.79 KDM4E (0.34) HTTPOLB
SCHEMBL4279399 0.79 HPGD (0.51) ABL1HTTPOLB
SCHEMBL5897147 0.78 HSD17B10 (0.48) AMY1AERAP1
SCHEMBL9791253 0.78 LMNA (0.46) HTTPOLB
SCHEMBL11689222 0.77 TUBB4A (0.45) DHODH
SCHEMBL11839896 0.77 MEN1 (0.37) GAA
SCHEMBL11768573 0.77 CHEK2 (0.41) ABL1HTTPDE3BPDE3APOLB
SCHEMBL8954685 0.77 KDR (0.45) ABL1HTTPOLB

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-8110571-B2 Tyrosine kinase inhibitors; antiproliferation agents; metabolism diseases; antiallergens; central nervous system disorders; vision and skin disorders; antiarthritic agents AVENTIS PHARMA S.A. (FR) 2012-02-07 US disclosed