Toluene

Toluene

SCHEMBL27930864

Cc1ccccc1.Nc1ccc(C=Cc2ccccc2)c(N)c1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.50
▸ MAOA P21397 2/20 0.50
▸ MAOB P27338 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NFE2L2 Q16236 4/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ GRM4 Q14833 1/20 0.41
▸ TTR P02766 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ TRPA1 O75762 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ FGF23 Q9GZV9 1/20 0.38

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
SCHEMBL11510146 0.91 CYP19A1 (0.59) CYP19A1MAOAMAOBALDH1A1KDM4E
Benzene SCHEMBL28086974 0.91 CYP19A1 (0.59) CYP19A1MAOAMAOBALDH1A1KDM4E
SCHEMBL11510148 0.91 CYP19A1 (0.59) CYP19A1MAOAMAOBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL27479949 0.90 CYP19A1 (0.57) CYP19A1MAOAMAOBALDH1A1KDM4E
SCHEMBL27493766 0.87 NFE2L2 (0.49) CYP19A1MAOAMAOBALDH1A1KDM4E
SCHEMBL28503270 0.84 ALDH1A1 (0.48) CYP19A1MAOAMAOBALDH1A1KDM4E
SCHEMBL27635492 0.83 CYP19A1 (0.46) CYP19A1MAOAMAOBALDH1A1KDM4E
Isopropylbenzene SCHEMBL27492318 0.83 CYP19A1 (0.50) CYP19A1MAOAMAOBALDH1A1NFE2L2
Anisole SCHEMBL27678291 0.83 CYP19A1 (0.56) CYP19A1MAOAMAOBALDH1A1KDM4E
SCHEMBL27856085 0.81 CYP19A1 (0.55) CYP19A1MAOAMAOBALDH1A1KDM4E

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-105482077-B improved epoxy systems and amine polymer system and preparation method thereof 瀚森公司 2018-04-03 — — CN disclosed
CN-106397739-A IMPROVED EPOXY SYSTEMS AND AMINE POLYMER SYSTEMS AND METHODS FOR MAKING THE SAME 瀚森公司 2017-02-15 — — CN disclosed
CN-103261317-B Improved epoxy and amine polymer systems and methods for making the same 瀚森公司 2016-10-12 — — CN disclosed
CN-105482077-A Improved epoxy systems and amine polymer systems and methods for making the same HEXION INC 2016-04-13 — — CN disclosed
CN-103249777-B Improved epoxy and amine polymer systems and methods for making the same MOMENTIVE SPECIALTY CHEMICALS INC. (US) 2016-01-20 — — CN disclosed
CN-103261317-A Improved epoxy and amine polymer systems and methods for making the same MOMENTIVE SPECIALTY CHEM INC 2013-08-21 — — CN disclosed
CN-103249777-A Improved epoxy and amine polymer systems and methods for making the same MOMENTIVE SPECIALTY CHEM INC 2013-08-14 — — CN disclosed
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