SCHEMBL6984009

SCHEMBL6984009

CCS(=O)(=O)Nc1ccc(OC(=O)CN)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.54
LMNA P02545 3/20 0.49
AR P10275 1/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
OPRK1 P41145 1/20 0.44
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
NR3C2 P08235 1/20 0.42
KIF11 P52732 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PANK3 Q9H999 1/20 0.41
RORC P51449 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL27743150 0.82 HPGD (0.62) HPGDLMNAARHTTSMN1; SMN2
SCHEMBL9568488 0.78 HPGD (0.54) HPGDLMNAARHTTSMN1; SMN2
SCHEMBL3255942 0.77 HPGD (0.55) HPGDLMNAARHTTSMN1; SMN2
SCHEMBL11346287 0.77 HPGD (0.53) HPGDLMNAARHTTSMN1; SMN2
SCHEMBL3805817 0.76 KMT2A (0.68) HPGDLMNAHTTSMN1; SMN2OPRK1
SCHEMBL16691162 0.74 CA1 (0.63) HPGDLMNAARHTTSMN1; SMN2
SCHEMBL29064938 0.73 KMT2A (0.47) LMNAHTTMAPTHSD17B10ALDH1A1
SCHEMBL14416710 0.73 RAB9A (0.50) LMNAHTTSMN1; SMN2MAPTHSD17B10
SCHEMBL6984005 0.73 PSIP1 (0.47) HPGDLMNAMAPTHSD17B10ALDH1A1
SCHEMBL29209190 0.72 HPGD (0.54) HPGDLMNAARHTTSMN1; 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
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed