SCHEMBL15948100

SCHEMBL15948100

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ MAPK10 P53779 2/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ PTPRC P08575 1/20 0.43
▸ PTPN13 Q12923 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL15940757 0.88 NPC1 (0.44) NPC1RAB9AHTTMAPK10MAPK8
SCHEMBL22809622 0.85 RAB9A (0.45) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL18266478 0.81 JAK2 (0.50) NPC1RAB9AHTTMAPK10ALDH1A1
SCHEMBL15910524 0.81 L3MBTL1 (0.56) NPC1RAB9AHTTMAPK10MAPK8
SCHEMBL15941191 0.81 HPGD (0.56) NPC1RAB9AHTTMAPK10MAPK8
SCHEMBL14784275 0.81 TSHR (0.47) NPC1RAB9AHTTALDH1A1L3MBTL1
SCHEMBL15940876 0.80 NPC1 (0.45) NPC1RAB9AHTTMAPK10MAPK8
SCHEMBL15910526 0.78 HTT (0.47) NPC1RAB9AHTTMAPK10MAPK8
SCHEMBL7365972 0.76 L3MBTL1 (0.52) L3MBTL1
SCHEMBL29951814 0.76 L3MBTL1 (0.52) L3MBTL1

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 1 patent. 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
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