Benzene

Benzene

SCHEMBL27397175

Nc1ccc(C=Cc2ccccc2)c(N)c1.[O]CCO.c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.46
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ CYP1B1 Q16678 2/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ DHFR P00374 2/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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 SCHEMBL27596625 0.98 CYP19A1 (0.45) CYP19A1MAOAMAOBCYP1B1TRPA1
Benzene SCHEMBL28086974 0.87 CYP19A1 (0.59) CYP19A1MAOAMAOBCYP1B1TRPA1
SCHEMBL11510146 0.87 CYP19A1 (0.59) CYP19A1MAOAMAOBCYP1B1TRPA1
SCHEMBL11510148 0.87 CYP19A1 (0.59) CYP19A1MAOAMAOBCYP1B1TRPA1
Hydrochloric Acid SCHEMBL27479949 0.85 CYP19A1 (0.57) CYP19A1MAOAMAOBCYP1B1TRPA1
Phenylethyl Alcohol SCHEMBL27670864 0.85 TDP1 (0.46) CYP19A1MAOAMAOBTRPA1MAPT
Phenoxyethanol SCHEMBL27396634 0.82 ALDH1A1 (0.50) CYP19A1MAOAMAOBMAPTCYP1A2
Toluene SCHEMBL27930864 0.80 CYP19A1 (0.50) CYP19A1MAOAMAOBCYP1B1TRPA1
SCHEMBL27635492 0.79 CYP19A1 (0.46) CYP19A1MAOAMAOBCYP1B1TRPA1
Anisole SCHEMBL27678291 0.76 CYP19A1 (0.56) CYP19A1MAOAMAOBCYP1B1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105007984-B For changing the method for hair color and appearance 欧莱雅 2018-07-17 — — CN disclosed
CN-105007984-A Methods for altering the color and appearance of hair OREAL 2015-10-28 — — CN disclosed
CN-1847325-B Dye composition with a reduced content of starting materials and dyeing process OREAL 2012-09-05 — — CN disclosed
CN-1847325-A Dye composition with a reduced content of starting materials, and process for dyeing keratin fibres using the same OREAL (FR) 2006-10-18 — — CN disclosed
CN-1478079-A Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres 欧莱雅 2004-02-25 — — CN disclosed
CN-1080111-C Composition for oxidation dyeing of keratin fibres comprising combination of at least two specific para-phenylenediamine derivatives, and use thereof OREAL (FR) 2002-03-06 — — CN disclosed
CN-1134815-A Composition for oxidation dyeing of keratin fibres comprising combination of at least two specific para-phenylenediamine derivatives, and use thereof OREAL (FR) 1996-11-06 — — CN disclosed
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