Benzene

Benzene

SCHEMBL8022136

Clc1c[c]c(Cl)c(Cl)c1.c1ccccc1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 4/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AHR P35869 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
SCHEMBL260747 0.94
SCHEMBL28103866 0.74
SCHEMBL1393174 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20142984 0.70
SCHEMBL2344830 0.70
SCHEMBL976785 0.70
SCHEMBL15063882 0.70
SCHEMBL7702034 0.69 CYP1A2 (0.41) ALDH1A1TSHRHSD17B10TP53SMN1; SMN2
SCHEMBL1274816 0.67 AHR (0.50) ALDH1A1TSHRCYP3A4HSD17B10TP53
SCHEMBL11615995 0.67 FGFR1 (0.33) TSHRAHR

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-6110947-A AN ANALGESIC AGENT FOR TREATING STROKE, ABDOMINAL PAIN; AS ANTIINFLAMMATORY, DIURETIC, ANESTHETIC OR NEUROPROTECTIVE AGENTS PFIZER INC. (US) 2000-08-29 US disclosed