SCHEMBL11780487

SCHEMBL11780487

O=[N+]([O-])c1ccc2c(c1)/C(=N/c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1-2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.57
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PTPRC P08575 3/20 0.42
S100A4 P26447 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MCL1 Q07820 1/20 0.42
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
TTR P02766 2/20 0.40
LRRK2 Q5S007 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL11780494 1.00 HSP90AA1 (0.57) HSP90AA1MAPTMEN1KMT2APTPRC
SCHEMBL11781232 0.89 HSP90AA1 (0.64) HSP90AA1MAPTMEN1KMT2APTPRC
SCHEMBL11781236 0.89 HSP90AA1 (0.64) HSP90AA1MAPTMEN1KMT2APTPRC
SCHEMBL11783416 0.88 HSP90AA1 (0.57) HSP90AA1MAPTMEN1KMT2APTPRC
SCHEMBL11783419 0.88 HSP90AA1 (0.57) HSP90AA1MAPTMEN1KMT2APTPRC
SCHEMBL11781071 0.88 HSP90AA1 (0.66) HSP90AA1MAPTMEN1KMT2APTPRC
SCHEMBL11781076 0.88 HSP90AA1 (0.66) HSP90AA1MAPTMEN1KMT2APTPRC
SCHEMBL11782222 0.85 MAPT (0.61) HSP90AA1MAPTMEN1KMT2APTPRC
SCHEMBL11782230 0.85 MAPT (0.61) HSP90AA1MAPTMEN1KMT2APTPRC
SCHEMBL11781099 0.85 MAPT (0.57) HSP90AA1MAPTMEN1KMT2APTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3935009-A FLUOREN-9-YLIDENE OCE-VAN DER GRINTEN N.V. (NL) 1976-01-27 US disclosed