SCHEMBL11062971

SCHEMBL11062971

CNc1ccc([N+]#N)cn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.44
NNMT P40261 2/20 0.43
TDO2 P48775 1/20 0.33
APP P05067 6/20 0.33
MAPT P10636 2/20 0.33
KCNH2 Q12809 1/20 0.33
NCF1 P14598 1/20 0.32
EGFR P00533 1/20 0.31
CPB2 Q96IY4 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
SCHEMBL13404677 0.81 HCAR3 (0.46) HCAR3NNMTTDO2APPMAPT
SCHEMBL11066153 0.79 HCAR3 (0.49) HCAR3
SCHEMBL11064014 0.73 PRKAA2 (0.36) HCAR3MAPT
SCHEMBL11064116 0.73 HCAR3 (0.51) HCAR3MAPT
SCHEMBL11057944 0.72 KMT2A (0.48)
SCHEMBL28591444 0.71
SCHEMBL11061826 0.71 NPC1 (0.55) APPMAPTEGFR
SCHEMBL11060545 0.70 FABP1 (0.53)
SCHEMBL30558588 0.69
SCHEMBL827644 0.69

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