SCHEMBL8977128

SCHEMBL8977128

CCCCCOc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
CYP19A1 P11511 6/20 0.56
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 2/20 0.50
CYP3A4 P08684 3/20 0.49
TSHR P16473 1/20 0.49
CNR1 P21554 1/20 0.48
ACHE P22303 1/20 0.48
CNR2 P34972 1/20 0.48
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL700418 0.95 TDP1 (0.62) TDP1CYP19A1CYSLTR2CYSLTR1MAPT
SCHEMBL11232774 0.92 TDP1 (0.65) TDP1CYP19A1MAPTALDH1A1LMNA
SCHEMBL29469600 0.91 TDP1 (0.64) TDP1CYP19A1MAPTALDH1A1LMNA
SCHEMBL397794 0.91 TDP1 (0.64) TDP1CYP19A1MAPTALDH1A1LMNA
SCHEMBL4800134 0.90 CYP19A1 (0.61) TDP1CYP19A1CYSLTR2CYSLTR1MAPT
SCHEMBL11224639 0.89 TDP1 (0.65) TDP1MAPTALDH1A1LMNAKMT2A
SCHEMBL11419463 0.89 TDP1 (0.55) TDP1CYP19A1CYSLTR2CYSLTR1MAPT
SCHEMBL11426633 0.89 TDP1 (0.55) TDP1CYP19A1CYSLTR2CYSLTR1MAPT
SCHEMBL11421627 0.88 TDP1 (0.65) TDP1CYP19A1MAPTALDH1A1LMNA
SCHEMBL3296474 0.88 CYP19A1 (0.63) TDP1CYP19A1CYSLTR2CYSLTR1MAPT

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 4 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
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
WO-1992011230-A1 NOVEL NITROANILIDES AND THEIR PREPARATION KODAK LIMITED (GB) 1992-07-09 WO disclosed