SCHEMBL11066153

SCHEMBL11066153

CCNc1ccc([N+]#N)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.49
ADRA2A P08913 3/20 0.46
ADRA2B P18089 3/20 0.46
ADRA2C P18825 3/20 0.46
PIK3CG P48736 2/20 0.38
PIK3CD O00329 1/20 0.38
PIP5K1C O60331 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
KIT P10721 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL11062971 0.79 HCAR3 (0.44) HCAR3
SCHEMBL11060545 0.76 FABP1 (0.53) SMN1; SMN2HPGDALDH1A1KDM4ELMNA
SCHEMBL81827 0.72 HCAR3 (0.55) HCAR3ADRA2AADRA2BADRA2CPIK3CG
SCHEMBL14416655 0.71 HCAR3 (0.53) HCAR3ADRA2AADRA2BADRA2CPIK3CG
SCHEMBL2642461 0.71 HCAR3 (0.53) HCAR3ADRA2AADRA2BADRA2CPIK3CG
SCHEMBL12497548 0.71 PTK2 (0.56) HCAR3ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL30721187 0.71 HCAR3 (0.53) HCAR3ADRA2AADRA2BADRA2CPIK3CG
SCHEMBL2643405 0.71 ADRA2A (0.54) HCAR3ADRA2AADRA2BADRA2CPIK3CG
SCHEMBL2642463 0.71 HCAR3 (0.53) HCAR3ADRA2AADRA2BADRA2CPIK3CG
SCHEMBL503269 0.71 NPC1 (0.55) HCAR3ADRA2AADRA2BADRA2CSMN1; SMN2

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
US-4482489-A USEFUL IN DIAZOTYPE SYSTEMS AND AS LATENT POLYMERIZATION INITIATORS JAMES RIVER GRAPHICS, INC. (US) 1984-11-13 US disclosed