SCHEMBL8464338

SCHEMBL8464338

C=Cc1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1C=C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.52
S100A4 P26447 2/20 0.52
ERN1 O75460 1/20 0.50
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MCL1 Q07820 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CES1 P23141 1/20 0.46
BAX Q07812 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL29051806 0.82 TDP1 (0.55) ERN1TDP1ALDH1A1CYP3A4MAPT
SCHEMBL13689920 0.82 HSD17B10 (0.62) ERN1TDP1ALDH1A1MAPTMEN1
SCHEMBL12798324 0.82 ERN1 (0.67) PTPRCS100A4ERN1TDP1ALDH1A1
SCHEMBL31098731 0.82 ERN1 (0.67) PTPRCS100A4ERN1TDP1ALDH1A1
SCHEMBL16954572 0.81 ERN1 (0.47) PTPRCS100A4ERN1TDP1ALDH1A1
SCHEMBL11369081 0.81 ERN1 (0.71) ERN1TDP1ALDH1A1MAPTMEN1
SCHEMBL4647893 0.81 ALDH1A1 (0.56) PTPRCS100A4ERN1TDP1ALDH1A1
SCHEMBL16954099 0.81 ERN1 (0.47) PTPRCS100A4ERN1TDP1ALDH1A1
SCHEMBL30648783 0.81 ALDH1A1 (0.56) PTPRCS100A4ERN1TDP1ALDH1A1
SCHEMBL16309635 0.81 ERN1 (0.61) PTPRCS100A4ERN1TDP1ALDH1A1

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
EP-0699699-B1 Poly(4,5,9,10-tetrahydropyrene-2,7-diyl)-derivatives and their use as electroluminiscent materials AVENTIS RES & TECH GMBH & CO (DE) 1999-11-03 EP disclosed
US-5728480-A Poly(4,5,9,10-tetrahydropyrene-2,7-diyl) derivatives and their use as electroluminescence materials HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed
EP-0699699-A1 Poly(4,5,9,10-tetrahydropyrene-2,7-diyl)-derivatives and their use as electroluminiscent materials HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-06 EP disclosed