SCHEMBL7210341

SCHEMBL7210341

O=[N+]([O-])c1ccc(Cc2cnccn2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.43
HIF1A Q16665 1/20 0.43
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP1A2 P05177 1/20 0.40
MEN1 O00255 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 3/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
S1PR4 O95977 1/20 0.38
AGTR1 P30556 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL7215312 0.76 ADRA2B (0.47) MAPT
SCHEMBL23981547 0.74 MAPK1 (0.49) KMT2AALDH1A1CYP1A2MEN1RXFP1
SCHEMBL29263634 0.72 GLS (0.36) KMT2AALDH1A1MEN1RXFP1MAPT
SCHEMBL31035986 0.72 GLS (0.36) KMT2AALDH1A1MEN1RXFP1MAPT
SCHEMBL6218882 0.71 ALDH1A1 (0.47) KMT2AALDH1A1HIF1AMEN1RXFP1
SCHEMBL16207595 0.71 ALDH1A1 (0.53) KMT2AALDH1A1HIF1ACYP1A2MEN1
SCHEMBL17083672 0.71 ALDH1A1 (0.53) KMT2AALDH1A1HIF1ACYP1A2MEN1
SCHEMBL9994102 0.71 CYP19A1 (0.51) KMT2AALDH1A1HIF1ACYP19A1CYP11B1
SCHEMBL19332416 0.70 MAPT (0.50) KMT2AALDH1A1MEN1RXFP1MAPT
SCHEMBL30963305 0.70 ALDH1A1 (0.44) KMT2AALDH1A1CYP1A2MEN1MAPT

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-6617339-B1 5-Isoxazolyloxymethyl-3-((dihydroxypropanoyl)-4-tetrahydropyri dyl-3,5- difluorophenyl)oxazolidinone, or the phosphated derivative or its disodium salt; antibiotic with useful activity against Grampositive pathogens SYNGENTA LIMITED (GB) 2003-09-09 US disclosed