Benzene

Benzene

SCHEMBL28088808

O=C1C=CC(=O)N1c1ccccc1.c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 15/20 1.00
FAAH O00519 8/20 0.74
HSP90AA1 P07900 4/20 0.65
PKM P14618 2/20 0.65
ALDH1A1 P00352 1/20 0.65
HTT P42858 1/20 0.65
ATM Q13315 1/20 0.65
TLR9 Q9NR96 1/20 0.59
BCHE P06276 1/20 0.58
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
DDAH1 O94760 1/20 0.58

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
SCHEMBL18713 1.00 MGLL (1.00) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL8920586 1.00 MGLL (1.00) MGLLFAAHHSP90AA1PKMALDH1A1
Hydrochloric Acid SCHEMBL8536567 0.97 MGLL (0.95) MGLLFAAHHSP90AA1PKMALDH1A1
Methane SCHEMBL28268601 0.97 MGLL (0.95) MGLLFAAHHSP90AA1PKMALDH1A1
Arsenic SCHEMBL28143838 0.97 MGLL (0.95) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL15841338 0.97 MGLL (0.95) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL30657178 0.97 MGLL (0.95) MGLLFAAHHSP90AA1PKMALDH1A1
Ammonia Solution, Strong SCHEMBL28183953 0.97 MGLL (0.95) MGLLFAAHHSP90AA1PKMALDH1A1
Cyanide SCHEMBL27588214 0.95 MGLL (0.90) MGLLFAAHHSP90AA1PKMALDH1A1
Formaldehyde SCHEMBL27804450 0.95 MGLL (0.90) MGLLFAAHHSP90AA1PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678777-A The method of one-step synthesis method N-phenylmaleimide 中国石油化工股份有限公司 2019-04-26 CN claimed
CN-107488307-A A kind of heat-resisting ASA composite material of highlight type high durable and preparation method thereof 芜湖创科新材料科技有限公司 2017-12-19 CN claimed
CN-104472212-B A kind of agrocyb eaegerita batch production bag cultivating method 曾令钢 2016-08-24 CN claimed
CN-106459542-B Thermoplastic resin composition and molded article obtained by using the same 株式会社LG化学 2019-02-22 CN disclosed
CN-108806997-A A kind of modified graphene and its application in ultracapacitor composite material 鹿寨鹿康科技有限公司 2018-11-13 CN disclosed
CN-107488307-A A kind of heat-resisting ASA composite material of highlight type high durable and preparation method thereof 芜湖创科新材料科技有限公司 2017-12-19 CN disclosed
CN-106459542-A Thermoplastic resin composition and molded article obtained by using the same 株式会社LG化学 2017-02-22 CN disclosed
CN-105860322-A Ultra thin-walled automotive wire 宁波卡倍亿电气技术有限公司 2016-08-17 CN disclosed