Hexane

Hexane

SCHEMBL28005106

CCCCCC.Nc1cccc(C=Cc2ccccc2)c1N

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHAT P28329 2/20 0.44
NFE2L2 Q16236 3/20 0.41
TRPA1 O75762 2/20 0.41
CYP19A1 P11511 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
DHFR P00374 1/20 0.40
EGFR P00533 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RELA Q04206 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRM4 Q14833 1/20 0.37
LMNA P02545 1/20 0.36

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
Butane SCHEMBL28118780 0.93 NFE2L2 (0.43) CHATNFE2L2TRPA1CYP19A1MAOA
Propanol SCHEMBL27730497 0.89 TRPA1 (0.43) CHATNFE2L2TRPA1CYP19A1MAOA
SCHEMBL133219 0.88 NFE2L2 (0.50) NFE2L2TRPA1CYP19A1MAOAMAOB
(Z)-1,2-Diphenylethene SCHEMBL27457740 0.88 NFE2L2 (0.50) NFE2L2TRPA1CYP19A1MAOAMAOB
SCHEMBL38342 0.88 NFE2L2 (0.50) NFE2L2TRPA1CYP19A1MAOAMAOB
SCHEMBL15285379 0.86 NFE2L2 (0.48) NFE2L2TRPA1CYP19A1MAOAMAOB
Hydrochloric Acid SCHEMBL4620961 0.86 NFE2L2 (0.48) NFE2L2TRPA1CYP19A1MAOAMAOB
SCHEMBL28357751 0.86 NFE2L2 (0.48) NFE2L2TRPA1CYP19A1MAOAMAOB
Methylene Chloride SCHEMBL28143521 0.85 NFE2L2 (0.44) NFE2L2TRPA1CYP19A1MAOAMAOB
Toluene SCHEMBL27514878 0.83 NFE2L2 (0.46) CHATNFE2L2TRPA1CYP19A1MAOA

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-105916940-B Daiamid composition for metal coating and the metal parts coated with it 罗地亚经营管理公司 2019-04-09 CN disclosed
CN-106459580-A Polyamide composition comprising amorphous polyamide and/or polyester with enhanced and uniform electrical conductivity 罗地亚经营管理公司 2017-02-22 CN disclosed
CN-104428370-A Adhesive composition and method NOVOMER INC 2015-03-18 CN disclosed