SCHEMBL8109217

SCHEMBL8109217

Oc1cc(Oc2ccccc2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.53
GLA P06280 1/20 0.50
ALDH1A1 P00352 5/20 0.48
LOXL2 Q9Y4K0 2/20 0.45
LOX P28300 1/20 0.44
KDR P35968 1/20 0.43
TNNI3K Q59H18 1/20 0.43
LTA4H P09960 2/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
HTT P42858 1/20 0.42
MAP4K4 O95819 1/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL8217612 0.86 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL22315230 0.81 LTA4H (0.47) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL10055730 0.81 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL12825399 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL8109214 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL557685 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL753276 0.77 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL191210 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL22063717 0.76 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL25924369 0.74 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662477-A1 Heterobicyclic compounds with fungicidal activity ISAGRO S.p.A. (IT) 1995-07-12 EP claimed
CN-101522642-B Process for preparing 6-phen0xypyrimidin-4-ol derivatives in the presence of a quinuclidine or a n-methyl pyrrolidine derivative SYNGENTA LTD 2013-02-06 CN disclosed
CN-101522642-B Process for preparing 6-phen0xypyrimidin-4-ol derivatives in the presence of a quinuclidine or a n-methyl pyrrolidine derivative SYNGENTA LTD 2013-02-06 CN disclosed
US-8350025-B2 Process for preparing 6-phenoxypyrimidin-4-OL derivatives in the presence of a quinuclidine or a N-methyl pyrrolidine derivatives SYNGENTA LIMITED (GB) 2013-01-08 US disclosed
CN-101522642-A Process for preparing 6-phen0xypyrimidin-4-ol derivatives in the presence of a quinuclidine or a n-methyl pyrrolidine derivative SYNGENTA LTD (GB) 2009-09-02 CN disclosed
CN-101522642-A Process for preparing 6-phen0xypyrimidin-4-ol derivatives in the presence of a quinuclidine or a n-methyl pyrrolidine derivative SYNGENTA LTD (GB) 2009-09-02 CN disclosed
EP-0693061-B1 FUNGICIDAL OXAZOLYL AND OXADIAZOLYL DERIVATIVES ZENECA LTD (GB) 2000-11-22 EP disclosed
US-5716974-A TREATING FUNGAL PLANT DISEASES ISAGRO S.P.A. (IT) 1998-02-10 US disclosed
EP-0662477-A1 Heterobicyclic compounds with fungicidal activity ISAGRO S.p.A. (IT) 1995-07-12 EP disclosed
WO-1994022844-A1 FUNGICIDAL OXAZOLYL AND OXADIAZOLYL DERIVATIVES ZENECA LIMITED (GB) 1994-10-13 WO disclosed