SCHEMBL9308071

SCHEMBL9308071

CCCCCCCCCCCCCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
HRH3 Q9Y5N1 1/20 0.60
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
KCNH2 Q12809 3/20 0.58
MGLL Q99685 1/20 0.57
NR5A1 Q13285 1/20 0.56
PTGS2 P35354 1/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL9232088 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL5052431 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL3332201 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL1963497 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL51004 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL8410318 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL5387345 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL5049067 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL1240044 0.98 MAPT (0.63) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL25232552 0.95 MAPT (0.65) MAPTL3MBTL1NPC1RAB9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
US-5208247-A Antianaphylactic agents or septic shock AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
EP-0530444-A1 Aryl, amide, imide, and carbamate pyridine antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed
CN-1069025-A The aryl of platelet activating factor, acid amides, imide and carbamate pyridine antagonists AMERICAN CYANAMID CO (US) 1993-02-17 CN disclosed
CN-1056494-A The bis-aryl amide of platelet activating factor and urea antagonists AMERICAN CYANAMID CO (US) 1991-11-27 CN disclosed
EP-0110299-B1 SMECTIC LIQUID CRYSTAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS HITACHI, LTD. (JP) 1988-06-29 EP disclosed
US-4576732-A OPTICAL DISPLAYS HITACHI, LTD. (JP) 1986-03-18 US disclosed