Benzene

Benzene

SCHEMBL4377778

CCOC(=O)c1c(-c2ccc(OCCN=S(=O)=O)cc2)c(C#N)c(CC)n1C.c1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 19/20 0.54
GRIA4 P48058 19/20 0.54
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4375263 0.83 GRIA2 (0.57) GRIA2GRIA4
SCHEMBL4373295 0.82 GRIA2 (0.59) GRIA2GRIA4
SCHEMBL8289329 0.82 GRIA4 (0.64) GRIA2GRIA4
SCHEMBL8289784 0.82 GRIA2 (0.60) GRIA2GRIA4KDM4EMEN1ALDH1A1
SCHEMBL4372732 0.81 GRIA4 (0.76) GRIA2GRIA4
SCHEMBL13604491 0.81 GRIA2 (0.51) GRIA2GRIA4MEN1ALDH1A1KMT2A
SCHEMBL8288386 0.81 GRIA2 (0.65) GRIA2GRIA4
SCHEMBL8289349 0.81 GRIA2 (0.77) GRIA2GRIA4KDM4EMEN1ALDH1A1
SCHEMBL8289332 0.80 GRIA2 (0.65) GRIA2GRIA4KDM4E
SCHEMBL8289350 0.80 GRIA2 (0.74) GRIA2GRIA4

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-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed