SCHEMBL6980607

SCHEMBL6980607

NCC(=O)Oc1cccc2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 1/20 0.46
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCB1 P08183 1/20 0.42
NSD2 O96028 1/20 0.42
KDM4E B2RXH2 2/20 0.41
NR3C1 P04150 3/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 1/20 0.40
CACNA2D1 P54289 4/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL28169221 0.85 FABP5 (0.49) FABP5ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL19475149 0.83 FABP5 (0.49) FABP5ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL2308927 0.81 FABP5 (0.53) FABP5ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL2882948 0.80 MEN1 (0.54) FABP5ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL18674157 0.79 FABP5 (0.49) FABP5ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6983292 0.77 LMNA (0.63) ALDH1A1LMNASMN1; SMN2HTTMEN1
SCHEMBL13609760 0.76 MEN1 (0.50) FABP5ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6859446 0.76 FABP5 (0.46) FABP5ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL28624547 0.76 FABP5 (0.46) FABP5ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL16005654 0.76 FABP5 (0.49) FABP5ALDH1A1LMNASMN1; SMN2HTT

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 4 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
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed