SCHEMBL6014320

SCHEMBL6014320

CCCCN(C(N)=O)c1nc2cc3c(cc2cc1C(=O)OCC)OCO3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
TSHR P16473 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 8/20 0.39
HPGD P15428 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 6/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 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
SCHEMBL6014280 0.97 LMNA (0.43) LMNATDP1HSD17B10MAPTSMN1; SMN2
SCHEMBL6014263 0.96 LMNA (0.42) LMNATDP1HSD17B10MAPTSMN1; SMN2
SCHEMBL6014316 0.94 LMNA (0.45) LMNATDP1HSD17B10MAPTSMN1; SMN2
SCHEMBL6014271 0.90 LMNA (0.47) LMNATDP1HSD17B10MAPTSMN1; SMN2
SCHEMBL6014265 0.84 LMNA (0.47) LMNATDP1HSD17B10MAPTSMN1; SMN2
SCHEMBL6014253 0.83 LMNA (0.42) LMNATDP1HSD17B10MAPTSMN1; SMN2
SCHEMBL6014300 0.82 LMNA (0.45) LMNATDP1HSD17B10MAPTSMN1; SMN2
SCHEMBL6014276 0.81 LMNA (0.44) LMNATDP1HSD17B10MAPTSMN1; SMN2
SCHEMBL6014315 0.79 LMNA (0.43) LMNATDP1HSD17B10MAPTSMN1; SMN2
SCHEMBL6014239 0.79 LMNA (0.43) LMNATDP1HSD17B10MAPTSMN1; 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