Benzene

Benzene

SCHEMBL28158299

CCC(CC)=NO.c1ccccc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
FFAR3 O14843 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL273798 0.89
Biphenyl SCHEMBL27544513 0.87 MAPT (0.48) ATMMAPTSMN1; SMN2L3MBTL1
SCHEMBL28131033 0.86
Hydrochloric Acid SCHEMBL27730476 0.86
SCHEMBL20873208 0.83 ALDH1A1 (0.33)
SCHEMBL5604545 0.75 CTBP2 (0.48) ATMMAPTSMN1; SMN2
SCHEMBL5604550 0.75 CTBP2 (0.48) ATMMAPTSMN1; SMN2
SCHEMBL10879107 0.72 ALDH1A1 (0.31) MAPT
SCHEMBL30450046 0.71
SCHEMBL9005200 0.71

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-102905516-B Herbicide Tolerant Plants 巴斯夫农业化学产品公司 2017-06-13 CN disclosed