Benzene

Benzene

SCHEMBL7580000

NNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPT P10636 6/20 0.49
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
RAB9A P51151 1/20 0.49
CYP3A4 P08684 1/20 0.48
GPR35 Q9HC97 4/20 0.47
TDP1 Q9NUW8 5/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 3/20 0.46
TTR P02766 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL8446350 0.96 ALDH1A1 (0.52) MEN1KMT2AHSP90AA1MAPTALDH1A1
Hydrazine SCHEMBL28171799 0.92 ALDH1A1 (0.48) MEN1KMT2AHSP90AA1MAPTALDH1A1
Biphenyl SCHEMBL3314037 0.91 MEN1 (0.54) MEN1KMT2AHSP90AA1MAPTALDH1A1
Toluene SCHEMBL28171131 0.88 MEN1 (0.51) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL10507884 0.83 GPR35 (0.56) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL4170578 0.83 ALDH1A1 (0.62) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL27632675 0.79 TDP1 (0.50) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL11812266 0.79 XDH (0.50) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL2218947 0.79 ALDH1A1 (0.59) MEN1KMT2AHSP90AA1MAPTALDH1A1
SCHEMBL13265018 0.79 KMT2A (0.54) MEN1KMT2AHSP90AA1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822240-B1 COATING RESIN COMPOSITION MATSUSHITA ELECTRIC WORKS LTD (JP) 2002-09-25 EP disclosed
US-6329456-B1 FOR FORMING A COATING FILM OF HIGH HARDNESS, HEAT RESISTANCE AND WEATHERABILITY MATSUSHITA ELECTRIC WORKS, LTD. (JP) 2001-12-11 US disclosed
US-6090873-A ACRYLATE TERPOLYMER CONTAINING EPOXY AND ALKOXYSILANE GROUPS MATSUSHITA ELECTRIC WORKS, LTD. (JP) 2000-07-18 US disclosed
EP-0822240-A1 COATING RESIN COMPOSITION MATSUSHITA ELECTRIC WORKS, LTD. (JP) 1998-02-04 EP disclosed