SCHEMBL2355162

SCHEMBL2355162

O=C(NC1CCOCC1)c1ccc2cccnc2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.62
CHRNA7 P36544 3/20 0.58
HPGDS O60760 2/20 0.55
PDE4B Q07343 1/20 0.53
PDE4D Q08499 1/20 0.53
KDM1A O60341 3/20 0.52
RIPK1 Q13546 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.48
DRD4 P21917 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
HTR3A P46098 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NAMPT P43490 2/20 0.46
ACSS2 Q9NR19 1/20 0.46

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
SCHEMBL15327183 0.81 NPC1 (0.53) MAPK14HPGDSPDE4BPDE4D
SCHEMBL561917 0.76 TAS1R3 (0.60) HPGDSKDM1ATDP1NAMPTACSS2
SCHEMBL10110571 0.76 POLB (0.56) MAPK14CHRNA7PDE4BTRPM8
SCHEMBL3362629 0.75 HDAC6 (0.65) CHRNA7TRPM8EGLN1
SCHEMBL6085312 0.75 PLK1 (0.61) MAPK14HPGDSPDE4BRIPK1HTR3A
SCHEMBL30731032 0.75 RIPK1 (0.56) PDE4BPDE4DRIPK1
SCHEMBL5304873 0.75 NPC1 (0.60) HPGDSKDM1ATDP1NAMPT
SCHEMBL6085305 0.75 PLK1 (0.61) MAPK14HPGDSPDE4BRIPK1HTR3A
SCHEMBL24975649 0.75 MMP9 (0.48) MAPK14HPGDSPDE4BPDE4DKDM1A
SCHEMBL31428468 0.75 MMP9 (0.48) MAPK14HPGDSPDE4BPDE4DKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519504-A1 NEW SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES. Polichem SA (LU) 2012-11-07 EP claimed
WO-2011080266-A1 NEW SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES. POLICHEM S.A. (LU) 2011-07-07 WO claimed