SCHEMBL8533351

SCHEMBL8533351

O=C(Nc1cccc(C(F)(F)F)c1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
LMNA P02545 2/20 0.64
KIF11 P52732 1/20 0.61
TRPV1 Q8NER1 2/20 0.57
RXFP1 Q9HBX9 2/20 0.57
GRIK1 P39086 1/20 0.56
MPO P05164 1/20 0.54
MAOB P27338 1/20 0.53
NPSR1 Q6W5P4 3/20 0.50
HTT P42858 3/20 0.50
TP53 P04637 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
FAAH O00519 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49
XBP1 P17861 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL12435446 0.89 P2RX1 (0.57) MAPTMEN1KMT2ALMNAKIF11
SCHEMBL10308069 0.85 ABCG2 (0.54) MAPTMEN1KMT2ATRPV1NPSR1
SCHEMBL12694410 0.84 MEN1 (0.63) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL12586249 0.83 P2RX1 (0.49) MAPTMEN1KMT2ALMNAKIF11
SCHEMBL12435451 0.83 SLC13A3 (0.52) MAPTMEN1KMT2ALMNAKIF11
SCHEMBL12435452 0.83 P2RX1 (0.49) MAPTMEN1KMT2ALMNAKIF11
SCHEMBL8095636 0.83 MAPK14 (0.69) MAPTMEN1KMT2ALMNAKIF11
SCHEMBL16907464 0.83 MAPT (0.66) MAPTMEN1KMT2ALMNATRPV1
SCHEMBL22225457 0.82 TRPV1 (0.63) MAPTMEN1KMT2ALMNAKIF11
SCHEMBL23447712 0.82 MAPT (0.63) MAPTMEN1KMT2ALMNARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed