Acenaphthene

Acenaphthene

SCHEMBL8740457

O=[N+]([O-])c1ccccc1.c1cc2c3c(cccc3c1)CC2

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
LMNA P02545 3/20 0.57
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.45
MAPT P10636 9/20 0.45
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 3/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
NFE2L2 Q16236 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
Pyrene SCHEMBL28476532 0.83 ALDH1A1 (0.70) ALDH1A1LMNACYP3A4ALOX15HSD17B10
Acenaphthene SCHEMBL28242769 0.81 ALDH1A1 (0.50) ALDH1A1LMNACYP3A4ALOX15HSD17B10
SCHEMBL5376486 0.81 TDP1 (0.49) ALDH1A1LMNACYP3A4ALOX15HSD17B10
SCHEMBL4221299 0.76 ALDH1A1 (0.58) ALDH1A1LMNACYP3A4ALOX15HSD17B10
Acenaphthene SCHEMBL27742370 0.76 TSHR (0.52) ALDH1A1LMNACYP3A4HSD17B10TSHR
Acenaphthene SCHEMBL9017 0.76 TSHR (0.57) ALDH1A1LMNACYP3A4ALOX15HSD17B10
Nitrobenzene SCHEMBL1330714 0.76
Acenaphthene SCHEMBL3416108 0.76 TSHR (0.57) ALDH1A1LMNACYP3A4ALOX15HSD17B10
Acenaphthene SCHEMBL598252 0.76 TSHR (0.57) ALDH1A1LMNACYP3A4ALOX15HSD17B10
Nitrobenzene SCHEMBL2255264 0.76 ALDH1A1 (1.00) ALDH1A1LMNAALOX15HSD17B10TSHR

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-0705221-A4 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES INC (US) 1997-01-22 EP disclosed
EP-0705221-A1 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES, INCORPORATED (US) 1996-04-10 EP disclosed
WO-1994029221-A1 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES, INC. (US) 1994-12-22 WO disclosed