SCHEMBL6257567

SCHEMBL6257567

COc1ccc(-c2nn(CC3CCCCC3)c(=O)c(C#N)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.46
SLC34A1 Q06495 2/20 0.46
NPBWR1 P48145 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
PSMB5 P28074 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PSMB1 P20618 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM1A O60341 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6254702 0.99 PTGIR (0.47) PTGIRSLC34A1NPBWR1NPC1RAB9A
SCHEMBL6254280 0.95 PTGIR (0.51) PTGIRSLC34A1ALDH1A1KDM4EHPGD
SCHEMBL6258394 0.82 ADORA1 (0.46) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6276770 0.80 PTGIR (0.46) PTGIRNPBWR1NPC1RAB9AALDH1A1
SCHEMBL6254289 0.80 GRIA2 (0.46) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6260233 0.79 GRM2 (0.47) ALDH1A1KDM4EHPGDPSMB5MAPT
SCHEMBL6255253 0.79 PTGIR (0.46) PTGIRNPBWR1NPC1RAB9AALDH1A1
SCHEMBL6255367 0.78 CYP2C9 (0.52) NPBWR1ALDH1A1KDM4EHPGDMAPT
SCHEMBL6256001 0.78 GRIA2 (0.44) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6258737 0.76 PTGIR (0.47) PTGIRSLC34A1NPBWR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156039-B1 PYRIDAZIN-3-ONE DERIVATIVES AND MEDICINES CONTAINING THE SAME KOWA CO (JP) 2005-10-05 EP disclosed
US-6680316-B1 INTERLEUKIN INHIBITORS; AUTOIMMUNE, RHEUMATIC, AND GASTROINTESTINAL DISORDERS; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTIISCHEMIC, AND ANTIARTHRITIC AGENTS KOWA CO., LTD. (JP) 2004-01-20 US disclosed
EP-1156039-A1 PYRIDAZIN-3-ONE DERIVATIVES AND MEDICINES CONTAINING THE SAME Kowa Co., Ltd. (JP) 2001-11-21 EP disclosed