Benzene

Benzene

SCHEMBL1720409

CCOC(=O)N(C)c1ccccc1.c1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNA4 P43681 1/20 0.59
LMNA P02545 2/20 0.58
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
TSHR P16473 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL442790 1.00 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL28857426 0.93 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL28501676 0.86 SMN1; SMN2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL27766401 0.85 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL9136344 0.85 LMNA (0.62) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL515011 0.83 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL28740847 0.83 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL5006624 0.83 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL1363531 0.82 L3MBTL1 (0.55) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8761336 0.82 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4LMNA

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
EP-1606229-B1 BINDER MATRIX FOR GAS GENERANTS AND RELATED COMPOSITIONS AND METHODS AUTOLIV ASP INC (US) 2012-01-18 EP disclosed