Benzene

Benzene

SCHEMBL28592905

Cc1coc2ccccc12.c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.46
MAOA P21397 4/20 0.42
PTPN1 P18031 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
CYP1A2 P05177 1/20 0.42
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FTO Q9C0B1 1/20 0.40
SLC6A4 P31645 2/20 0.39
DRD2 P14416 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNA3 P22001 1/20 0.39

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
SCHEMBL12183 0.98 MAOB (0.44) MAOBMAOAPTPN1CHRNB2CHRNA4
Formic Acid SCHEMBL28395993 0.86 MAOB (0.49) MAOBMAOAPTPN1CA2
Methylchromone SCHEMBL29387804 0.80 MAOB (0.56) MAOBMAOAPTPN1SMN1; SMN2
Methylchromone SCHEMBL25934 0.80 MAOB (0.56) MAOBMAOAPTPN1SMN1; SMN2
Methylchromone SCHEMBL29160528 0.79 MAOB (0.55) MAOBMAOAPTPN1SMN1; SMN2
Ethoxycarbonyl Group SCHEMBL29184215 0.77 MAOB (0.47) MAOBMAOAPTPN1CA2SMN1; SMN2
SCHEMBL23652461 0.73 PFKFB3 (0.54) PTPN1KCNA3
SCHEMBL1133152 0.73 CHRM2 (0.41) MAOBMAOAPTPN1CHRNB2CHRNA4
SCHEMBL2490828 0.72 CHRM2 (0.50) MAOBMAOAPTPN1CA2SMN1; SMN2
SCHEMBL24428634 0.72 KCNA3 (0.38) MAOBCYP1A2SMN1; SMN2KCNA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384753-B Synthetic method of 2-phenyl-3-methylbenzofuran compound 沈阳药科大学 2021-07-23 CN disclosed
CN-109384753-A A kind of synthetic method of 2- phenyl -3- methyl-benzofuran compounds 沈阳药科大学 2019-02-26 CN disclosed
CN-109384753-A A kind of synthetic method of 2- phenyl -3- methyl-benzofuran compounds 沈阳药科大学 2019-02-26 CN disclosed