Benzene

Benzene

SCHEMBL28478449

CCCCCCCCn1c2ccccc2c2ccccc21.c1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.62
PGR P06401 1/20 0.62
RORA P35398 1/20 0.62
RORC P51449 1/20 0.62
RORB Q92753 1/20 0.62
PSEN1 P49768 5/20 0.60
PSEN2 P49810 5/20 0.60
APH1B Q8WW43 5/20 0.60
NCSTN Q92542 5/20 0.60
APH1A Q96BI3 5/20 0.60
PSENEN Q9NZ42 5/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
MAOA P21397 8/20 0.59
MAOB P27338 8/20 0.59
GRIN1 Q05586 5/20 0.59
GRIN2A Q12879 5/20 0.59
GRIN2B Q13224 5/20 0.59
FABP4 P15090 1/20 0.59
FABP5 Q01469 1/20 0.59

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
SCHEMBL29311733 0.98 PGR (0.64) CNR2PGRRORARORCRORB
SCHEMBL5153894 0.98 PGR (0.64) CNR2PGRRORARORCRORB
SCHEMBL750975 0.98 PGR (0.64) CNR2PGRRORARORCRORB
SCHEMBL6774209 0.98 PGR (0.64) CNR2PGRRORARORCRORB
SCHEMBL1000878 0.98 PGR (0.64) CNR2PGRRORARORCRORB
SCHEMBL6278388 0.98 PGR (0.64) CNR2PGRRORARORCRORB
SCHEMBL1001993 0.98 PGR (0.64) CNR2PGRRORARORCRORB
SCHEMBL6275417 0.98 PGR (0.64) CNR2PGRRORARORCRORB
SCHEMBL6575875 0.98 PGR (0.64) CNR2PGRRORARORCRORB
SCHEMBL29396775 0.98 PGR (0.64) CNR2PGRRORARORCRORB

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-111763212-A Organic nano grid and preparation method thereof 南京邮电大学 2020-10-13 CN disclosed