Benzene

Benzene

SCHEMBL27884232

O=C(C=Cc1ccccc1[N+](=O)[O-])N=S(=O)=O.c1ccccc1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.68
▸ MAOB P27338 1/20 0.62
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ RAB9A P51151 4/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ ALDH1A1 P00352 9/20 0.53
▸ LMNA P02545 3/20 0.53
▸ ATM Q13315 2/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ BACE1 P56817 1/20 0.52
▸ TP53 P04637 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ AR P10275 1/20 0.50

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
SCHEMBL3295983 0.81 MAPT (1.00) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL42323 0.81 MAPT (1.00) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL10673342 0.81 MAPT (1.00) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL820084 0.81 MAPT (1.00) MAPTMAOBMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL27758234 0.80 MAPT (0.97) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL5441741 0.79 MAPT (0.63) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL4185541 0.79 MAPT (0.77) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL4185536 0.79 MAPT (0.77) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL28977485 0.78 MAPT (0.76) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL30449461 0.77 MAOB (1.00) MAPTMAOBMEN1KMT2ARAB9A

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
CN-102838515-A Cinnamoyl sulfonamide compound preparation and applications of cinnamoyl sulfonamide compounds in anti-tumor treatment drugs NANJING UNIVERSITY OF TECHNOLOGY 2012-12-26 — — CN disclosed
Send feedback