SCHEMBL11468328

SCHEMBL11468328

COc1nnc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C(C)C)C(C)C)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGDR Q13258 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
RAD51 Q06609 1/20 0.34
APP P05067 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADK P55263 4/20 0.33
NOX1 Q9Y5S8 1/20 0.33
SLC2A1 P11166 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
KDM5B Q9UGL1 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
SCHEMBL11467754 0.94 PTGES (0.35) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11485810 0.90 MAPT (0.45) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11711759 0.83 ALOX5 (0.44) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11468308 0.80 CYP1A2 (0.37) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11466667 0.77 PTGES (0.32)
SCHEMBL11469647 0.77 PTGES (0.39) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11484230 0.75 SRC (0.35)
SCHEMBL11483025 0.74 PTGES (0.41) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11468266 0.74 MAPT (0.36) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11864433 0.74 PTGES (0.41) MAPTKDM4EALDH1A1HPGDHSD17B10

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
US-4190725-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1980-02-26 US disclosed
US-4021553-A 5,6-Diaryl-1,2,4-triazines as topically-active anti-inflammatory agents ELI LILLY AND COMPANY (US) 1977-05-03 US disclosed