SCHEMBL17345759

SCHEMBL17345759

CC1(C)c2ccccc2-c2ccc(/C(N)=N/C(=N)c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.39
▸ PDK2 Q15119 11/20 0.37
▸ HTR7 P34969 3/20 0.33
▸ HTR2B P41595 3/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ F10 P00742 1/20 0.32
▸ F11 P03951 1/20 0.32
▸ F7 P08709 1/20 0.32

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
SCHEMBL22930624 0.95 WDR5 (0.39) WDR5PDK2HTR7HTR2BGRIN2B
SCHEMBL25054534 0.91 PDK2 (0.38) PDK2HTR7HTR2B
SCHEMBL20204500 0.89 PDK2 (0.36) PDK2HTR7HTR2BF10F7
SCHEMBL15811033 0.80 PDK2 (0.36) PDK2HTR7HTR2B
SCHEMBL20404840 0.78 PDK2 (0.34) PDK2PRSS1PRSS2PRSS3
SCHEMBL21937294 0.78 PRSS1 (0.36) WDR5PDK2HTR7HTR2BGRIN2B
SCHEMBL20407141 0.78 PDK2 (0.33) PDK2
SCHEMBL22274299 0.78 PDK2 (0.42) PDK2
SCHEMBL17345727 0.77 PRSS1 (0.44) WDR5PDK2PRSS1PRSS2PRSS3
SCHEMBL21599352 0.77 WDR5 (0.59) WDR5GRIN2BPRSS1PRSS2PRSS3

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-2015190789-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-12-17 — — WO disclosed
Send feedback