SCHEMBL8977411

SCHEMBL8977411

CCCCCOc1c(N)cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
RECQL P46063 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
THRA P10827 1/20 0.41

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
SCHEMBL11549738 0.92 NPC1 (0.51) MAPTRECQLNPC1RAB9ALMNA
SCHEMBL11545088 0.89 NPC1 (0.51) MAPTRECQLNPC1RAB9ALMNA
SCHEMBL11549296 0.88 NPC1 (0.58) MAPTRECQLNPC1RAB9ALMNA
SCHEMBL27460583 0.84 ALDH1A1 (0.54) MAPTRECQLNPC1RAB9ALMNA
SCHEMBL11434337 0.84 NPC1 (0.50) MAPTRECQLNPC1RAB9ALMNA
SCHEMBL27395658 0.82 NPC1 (0.47) MAPTRECQLNPC1RAB9ALMNA
SCHEMBL9699807 0.81 ESR1 (0.48) MAPTRECQLNPC1RAB9ALMNA
SCHEMBL11546681 0.81 RECQL (0.49) MAPTRECQLNPC1RAB9ALMNA
SCHEMBL248876 0.79 NPC1 (0.53) MAPTRECQLNPC1RAB9ALMNA
SCHEMBL28471208 0.79 TSHR (0.56) MAPTNPC1RAB9ALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517871-B1 NOVEL NITROANILIDES AND THEIR PREPARATION KODAK LTD (GB) 1996-04-24 EP disclosed
EP-0517871-B1 NOVEL NITROANILIDES AND THEIR PREPARATION KODAK LTD (GB) 1996-04-24 EP disclosed
US-5382682-A Nitroanilides and their preparation EASTMAN KODAK COMPANY (US) 1995-01-17 US disclosed
US-5382682-A Nitroanilides and their preparation EASTMAN KODAK COMPANY (US) 1995-01-17 US disclosed
EP-0517871-A1 NOVEL NITROANILIDES AND THEIR PREPARATION. KODAK LTD (GB) 1992-12-16 EP disclosed
EP-0517871-A1 NOVEL NITROANILIDES AND THEIR PREPARATION. KODAK LTD (GB) 1992-12-16 EP disclosed
WO-1992011230-A1 NOVEL NITROANILIDES AND THEIR PREPARATION KODAK LIMITED (GB) 1992-07-09 WO disclosed
WO-1992011230-A1 NOVEL NITROANILIDES AND THEIR PREPARATION KODAK LIMITED (GB) 1992-07-09 WO disclosed