SCHEMBL13542003

SCHEMBL13542003

N#Cc1ccc(NCC(=O)O)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
GFER P55789 1/20 0.42
PLEC Q15149 1/20 0.42
CXCR2 P25025 3/20 0.40
CXCR1 P25024 2/20 0.40
KAT2B Q92831 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
EGLN1 Q9GZT9 4/20 0.39
FLT1 P17948 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
FFAR1 O14842 1/20 0.38
PTGER4 P35408 1/20 0.38
MAP2K1 Q02750 1/20 0.36
PRSS1 P07477 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
SCHEMBL24993926 0.88 ALDH1A1 (0.49) KDM4EALDH1A1GAAHTTMAPT
SCHEMBL16155889 0.83 KDM4E (0.54) KDM4EALDH1A1GAAHTTMAPT
SCHEMBL2773527 0.83 MAP2K1 (0.43) KDM4EALDH1A1GAACXCR2CXCR1
SCHEMBL30701079 0.81 MAP2K1 (0.48) ALDH1A1MAPTCXCR2CXCR1KAT2B
SCHEMBL2806654 0.81 MAP2K1 (0.48) ALDH1A1MAPTCXCR2CXCR1KAT2B
SCHEMBL15595142 0.80 LMNA (0.44) KDM4EALDH1A1GAAHTTMAPT
SCHEMBL1649137 0.79 ABCB1 (0.47) KDM4EALDH1A1GAAHTTMAPT
SCHEMBL8113563 0.78 PTGDR2 (0.43) ALDH1A1GAAMAPTPTGDR2EGLN1
SCHEMBL8114370 0.78 FFAR1 (0.46) KDM4EALDH1A1GAAMAPTPTGDR2
SCHEMBL8118450 0.78 MAP2K1 (0.45) PTGDR2EGLN1FLT1EGLN3FFAR1

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
WO-2010005087-A1 AMIDINE DERIVATIVE 味の素株式会社 (JP) 2010-01-14 WO disclosed