Benzene

Benzene

SCHEMBL28852698

c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.82
MAPK12 P53778 11/20 0.82
MAPK11 Q15759 11/20 0.82
MAPK14 Q16539 11/20 0.82
RAF1 P04049 5/20 0.82
MAPK9 P45984 1/20 0.82
GCGR P47871 6/20 0.79
NOX1 Q9Y5S8 1/20 0.72
TP53 P04637 1/20 0.68
MAPT P10636 1/20 0.68
BRAF P15056 1/20 0.68
ALOX5 P09917 1/20 0.68
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
GLA P06280 1/20 0.66
GAA P10253 1/20 0.66
HPGD P15428 1/20 0.66
KMT2A Q03164 1/20 0.66
MGAM O43451 1/20 0.66
PTPN1 P18031 1/20 0.65

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
SCHEMBL104130 1.00 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL27850480 0.98 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5074753 0.98 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14RAF1
Methane SCHEMBL3278320 0.98 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL16667652 0.96 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL739928 0.93 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7228717 0.91 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2949385 0.91 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL14514175 0.90 PTPN1 (0.73) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL3456136 0.89 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14RAF1

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-115135662-A Iridium complex compound, composition containing iridium complex compound, organic electroluminescent element and method for producing same, organic EL display device, and organic EL lighting device 三菱化学株式会社 2022-09-30 CN disclosed