Benzene

Benzene

SCHEMBL27788964

NCc1cnno1.c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.38
CYP2E1 P05181 4/20 0.33
CYP2A6 P11509 4/20 0.33
CYP2C9 P11712 4/20 0.33
CYP2B6 P20813 4/20 0.33
CYP2C19 P33261 4/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2C8 P10632 1/20 0.30

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
SCHEMBL3254722 0.95
SCHEMBL12294410 0.70
SCHEMBL27633352 0.67
SCHEMBL28135428 0.64 CYP19A1 (0.35) CYP3A4
SCHEMBL5540225 0.61 USP2 (0.30)
SCHEMBL27575760 0.61
SCHEMBL2662531 0.60
Hydrochloric Acid SCHEMBL9175805 0.58
SCHEMBL9178735 0.58
SCHEMBL4978950 0.57 RAB9A (0.43) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101817799-B Cyanoacrylate compound and application thereof in pesticide and medicine UNIV NANKAI 2013-08-21 CN disclosed
CN-101817799-A Cyanoacrylate compound and application thereof in pesticide and medicine UNIV NANKAI 2010-09-01 CN disclosed