SCHEMBL23598673

SCHEMBL23598673

N#Cc1cc(N)c(NCc2ccccc2)cc1C#N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
HPGD P15428 3/20 0.63
HSD17B10 Q99714 2/20 0.63
TSHR P16473 1/20 0.63
GAA P10253 3/20 0.59
HTT P42858 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PRKCQ Q04759 2/20 0.51
PRKACA P17612 1/20 0.51
CDK8 P49336 1/20 0.51
CLK2 P49760 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
CDK9 P50750 1/20 0.51
CDK5 Q00535 1/20 0.51
ROCK1 Q13464 1/20 0.51

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
SCHEMBL23599001 0.84 MAPT (0.45) KDM4EHPGDHSD17B10TSHRGAA
SCHEMBL23598634 0.81 NPC1 (0.47) KDM4EHPGDHSD17B10TSHRGAA
SCHEMBL16489549 0.79 HSD17B10 (0.53) KDM4EHPGDHSD17B10TSHRGAA
SCHEMBL3475619 0.78 KDM4E (1.00) KDM4EHPGDHSD17B10TSHRGAA
SCHEMBL23578702 0.77 ALDH1A1 (0.51) KDM4EHPGDTSHRGAALMNA
SCHEMBL17940765 0.75 GAA (1.00) KDM4EHPGDHSD17B10GAAHTT
SCHEMBL19582846 0.74 KDM4E (0.50) KDM4EHPGDHSD17B10TSHRGAA
SCHEMBL12497079 0.73 KDM4E (0.66) KDM4EHPGDHSD17B10TSHRGAA
SCHEMBL23044735 0.73 BACE1 (0.49) KDM4EHPGDHSD17B10TSHRHTT
SCHEMBL10330188 0.72 KDM4E (0.75) KDM4EHPGDHSD17B10TSHRGAA

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
EP-4083043-A1 NOVEL ORGANIC ELECTRON TRANSFER MEDIATOR AND DEVICE COMPRISING SAME I-SENS, INC. (KR) 2022-11-02 EP disclosed
WO-2021133144-A1 NOVEL ORGANIC ELECTRON TRANSFER MEDIATOR AND DEVICE COMPRISING SAME 주식회사 아이센스 2021-07-01 WO disclosed