SCHEMBL16433795

SCHEMBL16433795

N#CC(C#N)=C1c2cc(-c3ccccc3)ccc2-c2nc3c(nc21)-c1ccc(-c2ccccc2)cc1/C3=C(\C#N)C(=N)I

nearest known ligand 0.30

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.30
MEN1 O00255 1/20 0.30
APAF1 O14727 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
XBP1 P17861 1/20 0.30
PTBP1 P26599 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
GALK1 P51570 1/20 0.30
BLM P54132 1/20 0.30
SMAD3 P84022 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2756295 0.89 LMNA (0.37) ADORA1MEN1APAF1NPC1LMNA
SCHEMBL16002456 0.79 ADORA1 (0.30) ADORA1MEN1APAF1NPC1LMNA
SCHEMBL2755931 0.78 ESR1 (0.40) ADORA1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2755917 0.77 ADORA1 (0.43) ADORA1
SCHEMBL19114900 0.77 PDK2 (0.40) MAPT
SCHEMBL19114670 0.77 USP8 (0.38) ADORA1LMNAMAPTHTT
SCHEMBL19114843 0.75 KDM5B (0.32)
SCHEMBL2756160 0.74 KIF11 (0.41)
SCHEMBL13207220 0.73 CTSS (0.44) ADORA1
SCHEMBL1755047 0.73 ALDH1A1 (0.33) MAPT

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-2833429-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Sony Corporation (JP) 2015-02-04 EP disclosed