Benzene

Benzene

SCHEMBL9706847

CC(C)(C)NS(=O)(=O)O.c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NSD2 O96028 2/20 0.34
PARG Q86W56 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ACP1 P24666 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
TSHR P16473 1/20 0.31
ALOX15 P16050 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
SCHEMBL1726899 0.91
Ammonia Solution, Strong SCHEMBL4593126 0.88 MAPT (0.31) SMN1; SMN2MAPTKDM4EMEN1NPC1
SCHEMBL27847630 0.88 MAPT (0.31) SMN1; SMN2MAPTKDM4EMEN1NPC1
Diethylamine SCHEMBL16433288 0.77 LMNA (0.39) MEN1LMNAHPGDKMT2A
Benzene SCHEMBL3694132 0.72 NSD2 (0.38) SMN1; SMN2MAPTKDM4EMEN1NPC1
Benzene SCHEMBL28337255 0.71 CA2 (0.47) SMN1; SMN2MAPTKDM4EMEN1LMNA
Benzene SCHEMBL4447245 0.71 CA2 (0.47) SMN1; SMN2MAPTKDM4EMEN1LMNA
SCHEMBL28304615 0.71
SCHEMBL9987191 0.69 ALDH1A1 (0.41) ALDH1A1TSHR
Benzene SCHEMBL28043681 0.68 CA2 (0.44) SMN1; SMN2MAPTKDM4ELMNAHPGD

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-0511073-A1 Antiserotonines, their preparation and medicaments containing them Aventis Pharma S.A. (FR) 1992-10-28 EP disclosed