SCHEMBL6014242

SCHEMBL6014242

COC(=O)c1cc2cc3c(cc2nc1N(C(N)=O)c1ccccc1)OCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 7/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 4/20 0.46
TSHR P16473 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 3/20 0.42
RAB9A P51151 5/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 3/20 0.38
EDNRA P25101 2/20 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
SCHEMBL6014239 0.89 LMNA (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL6014245 0.88 TRPM8 (0.40) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL6014287 0.87 HPGD (0.40) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL6014297 0.86 EDNRA (0.41) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6014256 0.81 LMNA (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL6016093 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL6014277 0.80 LMNA (0.42) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL6014281 0.80 LMNA (0.42) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL6014282 0.80 RAB9A (0.41) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL6014298 0.80 TRPM8 (0.41) ALDH1A1KDM4EMEN1KMT2AHPGD

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