SCHEMBL6014229

SCHEMBL6014229

CCOC(=O)c1cc2cc3c(cc2nc1-c1cc(Br)ccc1NC(N)=O)OCO3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
HSD17B10 Q99714 4/20 0.39
HPGD P15428 2/20 0.39
CFTR P13569 1/20 0.39
DHODH Q02127 1/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 3/20 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
SCHEMBL6014251 0.91 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6014272 0.90 LMNA (0.41) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6014270 0.90 LMNA (0.41) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6014227 0.89 MAPT (0.40) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL6014309 0.89 TSHR (0.44) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6016092 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6014275 0.89 DHODH (0.42) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6014258 0.87 L3MBTL1 (0.39) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6014286 0.86 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6014234 0.84 MAPT (0.40) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A

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