SCHEMBL6014282

SCHEMBL6014282

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 10/20 0.41
ALOX15 P16050 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 6/20 0.40
TSHR P16473 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 1/20 0.39
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39

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
SCHEMBL6014256 0.91 LMNA (0.43) RAB9ANPC1HTTCYP1A2CYP3A4
SCHEMBL6014277 0.90 LMNA (0.42) RAB9ANPC1HTTCYP3A4LMNA
SCHEMBL6014281 0.90 LMNA (0.42) RAB9ANPC1HTTCYP1A2CYP3A4
SCHEMBL6014255 0.90 HPGD (0.41) RAB9ANPC1HTTCYP1A2CYP3A4
SCHEMBL6014231 0.89 LMNA (0.42) RAB9ANPC1HTTLMNATDP1
SCHEMBL6014228 0.89 LMNA (0.42) NPC1HTTLMNATDP1ALDH1A1
SCHEMBL6014312 0.89 TSHR (0.44) RAB9ANPC1HTTCYP1A2CYP3A4
SCHEMBL6014239 0.89 LMNA (0.43) NPC1LMNATDP1ALDH1A1MAPT
SCHEMBL6016093 0.88 ALDH1A1 (0.45) RAB9ANPC1HTTLMNATDP1
SCHEMBL6014250 0.87 LMNA (0.41) RAB9ANPC1HTTLMNATDP1

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