SCHEMBL4035127

SCHEMBL4035127

Cc1noc(-c2ccc(CN3CCOCC3)cc2)c1NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.49
HSP90AA1 P07900 8/20 0.48
HSP90AB1 P08238 8/20 0.48
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
PDK1 Q15118 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
LPAR1 Q92633 1/20 0.45

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
SCHEMBL4038096 0.82 KDM4E (0.46) HSP90AA1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3706068 0.80 MAPT (0.52) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL4033669 0.80 LPAR1 (0.72) HSP90AA1HSP90AB1PDK1LPAR1
SCHEMBL12465676 0.77 POLB (0.48) KDM4EMAPTLPAR1
SCHEMBL4037272 0.76 MAPT (0.54) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL4033885 0.76 LPAR1 (0.52) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL4032753 0.75 TP53 (0.53) KDM4EMAPTLPAR1
SCHEMBL4037667 0.75 LPAR1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL2761636 0.75 MAPT (0.53) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL4035675 0.74 MAPT (0.67) HTTSMN1; SMN2KDM4EMAPTLPAR1

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
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed