SCHEMBL18780734

SCHEMBL18780734

CCCCc1cc2nc(O)cc(O)n2n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.44
KDM4E B2RXH2 1/20 0.37
APLNR P35414 3/20 0.35
KCNH2 Q12809 1/20 0.35
NOS2 P35228 1/20 0.35
GPR84 Q9NQS5 5/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 1/20 0.33

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
SCHEMBL18780833 0.86 TLR7 (0.42) TLR7KDM4ENOS2MAPT
SCHEMBL18781126 0.77 TLR7 (0.41) TLR7KDM4EKCNH2NOS2CNR1
SCHEMBL20406306 0.76 PIK3CG (0.37) TLR7KDM4ENOS2MAPT
SCHEMBL7847399 0.73 TLR7 (0.48) TLR7KDM4ENOS2MAPT
SCHEMBL18780955 0.72 TLR7 (0.41) TLR7KCNH2NOS2CNR1CNR2
SCHEMBL18780790 0.72 MAPT (0.62) TLR7KDM4ECNR1CNR2MAPT
SCHEMBL18780788 0.71 TLR7 (0.42) TLR7KDM4ENOS2CNR2MAPT
SCHEMBL18780811 0.71 MAPT (0.47) TLR7CNR1CNR2MAPT
SCHEMBL14211728 0.71 KDM4E (0.42) KDM4EMAPT
SCHEMBL11583625 0.70 NOS2 (0.42) TLR7KDM4EKCNH2NOS2MAPT

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
WO-2017069270-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND 大正製薬株式会社 2017-04-27 WO disclosed