SCHEMBL4954320

SCHEMBL4954320

c1ccc2nc(-c3ccc(-c4cnc5ccccc5n4)cc3)cnc2c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.81
RAB9A P51151 9/20 0.81
SMN1; SMN2 Q16637 6/20 0.81
BCHE P06276 1/20 0.81
MAPT P10636 5/20 0.68
KDM4E B2RXH2 4/20 0.68
ALDH1A1 P00352 3/20 0.64
HPGD P15428 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
TLR9 Q9NR96 1/20 0.56
HSD17B10 Q99714 2/20 0.55
PDGFRB P09619 1/20 0.55
KDR P35968 1/20 0.55
FLT3 P36888 1/20 0.55
GAA P10253 1/20 0.55
CASP1 P29466 1/20 0.55

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
SCHEMBL708285 0.94 NPC1 (0.72) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL24596471 0.94 NPC1 (0.72) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL29371290 0.93 NPC1 (0.71) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL87505 0.93 NPC1 (0.71) NPC1RAB9ASMN1; SMN2BCHEMAPT
Water SCHEMBL27478798 0.91 NPC1 (0.69) NPC1RAB9ASMN1; SMN2BCHEMAPT
Water SCHEMBL5134592 0.91 NPC1 (0.69) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL1160811 0.90 BCHE (1.00) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL1976848 0.90 NPC1 (0.68) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL708043 0.90 NPC1 (1.00) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL13495699 0.90 NPC1 (0.68) NPC1RAB9ASMN1; SMN2BCHEMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557953-B2 Polymers comprising substituted anthracenyl units, blends comprising these polymers, and devices comprising these polymers or blends MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-20120108731-A1 POLYMERS COMPRISING SUBSTITUTED ANTHRACENYL UNITS, BLENDS COMPRISING THESE POLYMERS, AND DEVICES COMPRISING THESE POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2012-05-03 US disclosed
US-20080063940-A1 CELL ELECTRODE AND ELECTROCHEMICAL CELL THEREWITH NEC TOKIN CORPORATION (JP) 2008-03-13 US disclosed
US-7309544-B2 Cell electrode and electrochemical cell therewith NEC TOKIN CORPORATION (JP) 2007-12-18 US disclosed
US-7169509-B2 Electrode and electrochemical cell therewith NEC TOKIN CORPORATION (JP) 2007-01-30 US disclosed
US-20060068284-A1 Cell electrode and electrochemical cell NEC TOKIN CORPORATION (JP) 2006-03-30 US disclosed
EP-1494303-A2 Electrode for electrochemical cell and electrochemical cell therewith Nec Tokin Corporation (JP) 2005-01-05 EP disclosed
US-20040214081-A1 Electrode for electrochemical cell and electrochemical cell therewith NEC TOKIN CORPORATION (JP) 2004-10-28 US disclosed
US-20040191607-A1 Electrode and electrochemical cell therewith NEC TOKIN CORPORATION (JP) 2004-09-30 US disclosed
US-20040029003-A1 Cell electrode and electrochemical cell therewith NEC TOKIN CORPORATION (JP) 2004-02-12 US disclosed
EP-1388906-A2 Cell electrode and electrochemical cell therewith Nec Tokin Corporation (JP) 2004-02-11 EP disclosed