SCHEMBL2051435

SCHEMBL2051435

CCc1cccc2c1nc(CC)n2C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
KDR P35968 3/20 0.38
PDGFRB P09619 2/20 0.37
PARP1 P09874 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ACACA Q13085 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
DAO P14920 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL17938379 0.78 MTNR1A (0.37) TLR8KDRPDGFRBPARP1TP53
SCHEMBL28878229 0.74 TLR8 (0.46) TLR8TP53MEN1KMT2AKDM4E
Ammonia Solution, Strong SCHEMBL4555054 0.74 TLR8 (0.49) TLR8TP53MEN1KMT2AGABRA1
Formamide SCHEMBL5260604 0.72 TLR8 (0.47) TLR8PARP1TP53MEN1KMT2A
SCHEMBL28794630 0.68 TLR8 (0.39) TLR8PARP1KDM4E
SCHEMBL21555488 0.68 TLR8 (0.64) TLR8CYP1A2
SCHEMBL15112010 0.67 KMT2A (0.40) TLR8KDRPDGFRBPARP1MEN1
SCHEMBL29145135 0.67 ASAH1 (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL16510477 0.66 MEN1 (0.44) TLR8TP53MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL28791312 0.66 KMT2A (0.39) TLR8KDRPDGFRBPARP1MEN1

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-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed