SCHEMBL15910526

SCHEMBL15910526

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPK10 P53779 2/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ PTPRC P08575 1/20 0.43
▸ PTPN13 Q12923 1/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL21766656 0.85 NAMPT (0.47) ALDH1A1NPC1RAB9AMAPK8POLB
SCHEMBL15925145 0.85 TSHR (0.48) ALDH1A1NPC1RAB9AMAPK10MAPK8
SCHEMBL15940624 0.84 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AMAPK10MAPK8
SCHEMBL19151107 0.81 TYK2 (0.50) ALDH1A1NPC1RAB9AHCRTR1HCRTR2
SCHEMBL14781048 0.81 MEN1 (0.51) HTTALDH1A1POLBHPGDHCRTR1
SCHEMBL15941191 0.81 HPGD (0.56) HTTALDH1A1NPC1RAB9AMAPK10
SCHEMBL15910524 0.81 L3MBTL1 (0.56) HTTALDH1A1NPC1RAB9AMAPK10
SCHEMBL15940876 0.80 NPC1 (0.45) HTTALDH1A1NPC1RAB9AMAPK10
SCHEMBL31703164 0.79 ALDH1A1 (0.43) HTTALDH1A1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL15948100 0.78 NPC1 (0.44) HTTALDH1A1NPC1RAB9AMAPK10

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
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
EP-2762468-A1 2-aminopyridine derivatives as plant growth regulating compounds Syngenta Participations AG. (CH) 2014-08-06 — — EP disclosed
EP-2762468-A1 2-aminopyridine derivatives as plant growth regulating compounds Syngenta Participations AG. (CH) 2014-08-06 — — EP disclosed
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