Benzene

Benzene

SCHEMBL5234418

SC1=NCCS1.c1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL101652 0.92
Hydrochloric Acid SCHEMBL28543592 0.89
Benzotriazole SCHEMBL8650375 0.72 ALDH1A1 (0.32) POLBALDH1A1LMNA
SCHEMBL505214 0.61 NOS3 (0.50) POLBNOS3NOS1NOS2ALDH1A1
SCHEMBL21843096 0.58
SCHEMBL14198599 0.57
SCHEMBL6736939 0.57 NOS3 (0.46) POLBNOS3NOS1NOS2ALDH1A1
SCHEMBL16474023 0.57 NOS3 (0.46) POLBNOS3NOS1NOS2ALDH1A1
SCHEMBL31290679 0.53
SCHEMBL31290680 0.53

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-1706452-A4 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES UNIV CALIFORNIA OFFICE OF THE (US) 2007-01-10 EP disclosed
EP-1706452-A2 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES The Regents of the University of California, Office of the President (US) 2006-10-04 EP disclosed
WO-2006001835-A2 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-05 WO disclosed