Benzene

Benzene

SCHEMBL28246729

CCCCCCCCCCCC(O)n1c2ccccc2c2ccccc21.c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.44
CNR2 P34972 4/20 0.43
CNR1 P21554 3/20 0.43
CDC25A P30304 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40

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
Benzene SCHEMBL28246744 1.00 CSNK1E (0.44) CSNK1ECNR2CNR1CDC25AKDM4E
Benzene SCHEMBL28246014 0.98 CNR2 (0.44) CSNK1ECNR2CNR1CDC25AKDM4E
SCHEMBL28246015 0.97 CNR2 (0.45) CSNK1ECNR2CNR1KDM4EPSEN1
SCHEMBL2729679 0.85 CNR2 (0.39) CNR2CNR1KDM4EPSEN1PSEN2
SCHEMBL28267907 0.81 CNR1 (0.43) CNR2CNR1CDC25A
SCHEMBL29354573 0.81 CNR1 (0.43) CNR2CNR1CDC25A
SCHEMBL25721393 0.81 CNR1 (0.43) CNR2CNR1CDC25A
SCHEMBL573850 0.81 CNR1 (0.43) CNR2CNR1CDC25A
SCHEMBL19388341 0.81 CNR1 (0.43) CNR2CNR1CDC25A
SCHEMBL11162564 0.81 CNR2 (0.56) CNR2CNR1

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-106674514-B A kind of polyarylether, preparation method and nano-carbon modified material and composite material of the main chain containing carbazole 吉林大学 2018-10-23 CN disclosed