SCHEMBL8980571

SCHEMBL8980571

CCCCCc1cc(CCCCC)nc(CCCCC)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
NOS2 P35228 1/20 0.46
GPR84 Q9NQS5 6/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PTGS2 P35354 3/20 0.39
CYP3A4 P08684 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TLR8 Q9NR97 1/20 0.36
PPARA Q07869 1/20 0.36
HRH2 P25021 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL3779870 0.93 NOS2 (0.52) KCNH2NOS2ESR1ESR2HRH2
SCHEMBL1187352 0.90 KCNH2 (0.44) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1188814 0.89 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1189648 0.89 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1186868 0.89 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1188509 0.89 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1188915 0.89 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1187574 0.89 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1187612 0.89 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1188914 0.89 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2

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-0711804-A2 Latent light stabilizers CIBA-GEIGY AG (CH) 1996-05-15 EP disclosed