SCHEMBL15940876

SCHEMBL15940876

COC(=O)CCC(=O)Nc1cc(CO)ccn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPK10 P53779 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NR3C2 P08235 1/20 0.45
▸ HTT P42858 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ PTPRC P08575 1/20 0.44
▸ PTPN13 Q12923 1/20 0.44
▸ RIOK2 Q9BVS4 2/20 0.43

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
SCHEMBL15941191 0.82 HPGD (0.56) NPC1RAB9AALDH1A1MAPK10L3MBTL1
SCHEMBL15910524 0.82 L3MBTL1 (0.56) NPC1RAB9AALDH1A1MAPK10L3MBTL1
SCHEMBL15940791 0.80 NPC1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2MAPK10
SCHEMBL15948100 0.80 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2MAPK10
SCHEMBL15910526 0.80 HTT (0.47) NPC1RAB9AALDH1A1SMN1; SMN2MAPK10
SCHEMBL15940757 0.78 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2MAPK10
SCHEMBL29507273 0.77 L3MBTL1 (0.52) L3MBTL1NR3C2
SCHEMBL501285 0.77 L3MBTL1 (0.52) L3MBTL1NR3C2
SCHEMBL14791574 0.77 GAA (0.65) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL6952630 0.76 NR3C2 (0.52) L3MBTL1NR3C2

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-2014122065-A1 2-AMINOPYRIDINE DERIVATIVES AS PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-14 — — WO disclosed
WO-2014122065-A1 2-AMINOPYRIDINE DERIVATIVES AS PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-14 — — WO disclosed
Send feedback