SCHEMBL13993259

SCHEMBL13993259

COc1ccc(-c2nc(C3CCN(C(=O)O)CC3)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
KIT P10721 2/20 0.47
NOX1 Q9Y5S8 1/20 0.45
TP53 P04637 2/20 0.45
BTK Q06187 5/20 0.43
EGFR P00533 1/20 0.43
BMX P51813 1/20 0.43
ITK Q08881 1/20 0.43

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
SCHEMBL3109886 0.87 HTR2B (0.49) HTR2BSMN1; SMN2MAPTKDM4EMEN1
SCHEMBL3099823 0.86 HTT (0.59) HTR2BMAPTKDM4EMEN1ALDH1A1
SCHEMBL8576094 0.83 MAPK14 (0.51) HTR2BKITCSNK1A1CSNK1DRPS6KA3
SCHEMBL4026671 0.80 MAPK11 (0.68) MAPTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL3089253 0.79 MAPK14 (0.62) HTR2BSMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL6168935 0.78 HTR2B (0.48) HTR2BSMN1; SMN2MAPTKDM4EMEN1
SCHEMBL6227723 0.73 BRAF (0.64) CSNK1A1CSNK1DRPS6KA3MAPK13RAF1
SCHEMBL5438668 0.73 MAPT (0.41) SMN1; SMN2MAPTKDM4EMEN1ALDH1A1
SCHEMBL2636579 0.73 HSD11B1 (0.61) SMN1; SMN2MAPTKDM4EMEN1ALDH1A1
SCHEMBL4025331 0.73 CSNK1A1 (0.67) CSNK1A1CSNK1DRPS6KA3MAPK13RAF1

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
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed