SCHEMBL6014255

SCHEMBL6014255

CCOC(=O)c1cc2cc3c(cc2nc1N(C(N)=O)c1ccc(NS(C)(=O)=O)cc1)OCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 4/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
AURKA O14965 3/20 0.38
AURKB Q96GD4 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL6014282 0.90 RAB9A (0.41) HPGDRAB9AHTTNPC1CYP1A2
SCHEMBL6014256 0.88 LMNA (0.43) HPGDRAB9AHTTNPC1CYP1A2
SCHEMBL6014277 0.87 LMNA (0.42) HPGDRAB9AHTTNPC1CYP3A4
SCHEMBL6014281 0.87 LMNA (0.42) HPGDRAB9AHTTNPC1CYP1A2
SCHEMBL6014231 0.86 LMNA (0.42) HPGDRAB9AHTTNPC1ALDH1A1
SCHEMBL6014228 0.86 LMNA (0.42) HPGDHTTNPC1ALDH1A1ALOX15
SCHEMBL6014312 0.86 TSHR (0.44) HPGDRAB9AHTTNPC1CYP1A2
SCHEMBL6014239 0.86 LMNA (0.43) HPGDNPC1ALDH1A1LMNAMAPK1
SCHEMBL6016093 0.85 ALDH1A1 (0.45) HPGDRAB9AHTTNPC1ALDH1A1
SCHEMBL6014250 0.84 LMNA (0.41) HPGDRAB9AHTTNPC1ALDH1A1

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-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