SCHEMBL8464969

SCHEMBL8464969

O=C1C(=O)c2c(nc3ccccn23)-c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
PTPRC P08575 3/20 0.52
S100A4 P26447 2/20 0.52
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
CES1 P23141 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8467016 0.95 PTPRC (0.52) HSP90AA1HSP90AB1PTPRCS100A4BCHE
SCHEMBL8465216 0.80 HSP90AA1 (0.79) HSP90AA1HSP90AB1
SCHEMBL8466610 0.80 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL8156872 0.80 HSP90AA1 (0.61) HSP90AA1HSP90AB1PTPRCS100A4MEN1
SCHEMBL8465304 0.80 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL8465017 0.76 HSP90AA1 (0.56) HSP90AA1HSP90AB1PTPRCS100A4MEN1
SCHEMBL8465385 0.74 HSP90AA1 (0.57) HSP90AA1HSP90AB1
SCHEMBL8143919 0.74 HSP90AA1 (0.57) HSP90AA1HSP90AB1PTPRCS100A4MEN1
SCHEMBL8465085 0.74 HSP90AA1 (0.57) HSP90AA1HSP90AB1
SCHEMBL1274825 0.72 HSP90AA1 (1.00) HSP90AA1HSP90AB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981544-A Mono-- or diketone tetracyclic derivatives and therapeutical uses thereof LABORATOIRE INNOTHERA (FR) 1999-11-09 US claimed
US-5981544-A Mono-- or diketone tetracyclic derivatives and therapeutical uses thereof LABORATOIRE INNOTHERA (FR) 1999-11-09 US disclosed