SCHEMBL6014232

SCHEMBL6014232

COC(=O)c1cc2cc3c(cc2nc1N(C(N)=O)C1CCCCC1)OCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 7/20 0.39
RAB9A P51151 4/20 0.39
GAA P10253 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 3/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 3/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL6014284 0.89 LMNA (0.42) KDM4EHSD17B10KMT2AMAPK1SMN1; SMN2
SCHEMBL6014291 0.89 LMNA (0.42) KDM4EHSD17B10KMT2AMAPK1SMN1; SMN2
SCHEMBL6014315 0.88 LMNA (0.43) KDM4EHSD17B10KMT2AMAPK1SMN1; SMN2
SCHEMBL6014285 0.87 TRPM8 (0.39) KDM4EKMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL6014276 0.84 LMNA (0.44) KDM4EHSD17B10KMT2AMAPK1SMN1; SMN2
SCHEMBL6014242 0.76 ALDH1A1 (0.46) KDM4EHSD17B10KMT2AMAPK1SMN1; SMN2
SCHEMBL6014287 0.73 HPGD (0.40) KDM4EHSD17B10KMT2AMAPK1SMN1; SMN2
SCHEMBL6014265 0.70 LMNA (0.47) KDM4EHSD17B10KMT2AMAPK1SMN1; SMN2
SCHEMBL6014271 0.69 LMNA (0.47) KDM4EHSD17B10KMT2AMAPK1SMN1; SMN2
SCHEMBL6014316 0.68 LMNA (0.45) KDM4EHSD17B10KMT2AMAPK1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO claimed
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO disclosed