SCHEMBL12908922

SCHEMBL12908922

Cc1cc2nc3cc(-c4cc5c(cc4C)nc4ccc(N(C)C)cc4[n+]5-c4ccccc4)ccc3[n+](-c3ccccc3)c2cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
NLRP3 Q96P20 2/20 0.44
PSMB5 P28074 2/20 0.39
APAF1 O14727 1/20 0.36
KDM1A O60341 2/20 0.35
MAPT P10636 5/20 0.33
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MEN1 O00255 4/20 0.33
MAPK1 P28482 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HTT P42858 3/20 0.33
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 2/20 0.33
BRD4 O60885 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL12908899 0.93 NPC1 (0.47) NPC1RAB9AL3MBTL1NLRP3PSMB5
SCHEMBL13901479 0.92 NPC1 (0.41) NPC1RAB9AL3MBTL1NLRP3PSMB5
SCHEMBL12908898 0.89 NPC1 (0.51) NPC1RAB9AL3MBTL1NLRP3PSMB5
SCHEMBL12908904 0.86 NPC1 (0.60) NPC1RAB9AL3MBTL1NLRP3PSMB5
SCHEMBL12908927 0.83 NPC1 (0.38) NPC1RAB9AL3MBTL1NLRP3PSMB5
SCHEMBL9274306 0.81 L3MBTL1 (0.51) NPC1RAB9AL3MBTL1NLRP3PSMB5
SCHEMBL12908929 0.81 NPC1 (0.55) NPC1RAB9AL3MBTL1NLRP3PSMB5
SCHEMBL12107916 0.81 NPC1 (0.60) NPC1RAB9AL3MBTL1NLRP3PSMB5
Hydrochloric Acid SCHEMBL11156397 0.81 NPC1 (0.60) NPC1RAB9AL3MBTL1NLRP3PSMB5
SCHEMBL12908903 0.80 NPC1 (0.42) NPC1RAB9AL3MBTL1NLRP3PSMB5

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-7872130-B2 Mixture of oligomeric phenazinium compounds and acid bath for electrolytically depositing a copper deposit ATOTECH DEUTSCHLAND GMBH (DE) 2011-01-18 US disclosed