Benzene

Benzene

SCHEMBL28075690

C=Cc1cccc2cc3ccccc3cc12.c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
CYP1A2 P05177 4/20 0.53
MAPT P10636 3/20 0.53
RAB9A P51151 2/20 0.53
PKM P14618 2/20 0.53
MAPK1 P28482 2/20 0.53
MITF O75030 1/20 0.53
CYP2C9 P11712 1/20 0.53
CCR6 P51684 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 5/20 0.40
GAA P10253 3/20 0.40
HSD17B10 Q99714 5/20 0.38
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 4/20 0.36
GLA P06280 2/20 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
SCHEMBL27113 0.98 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1CYP1A2MAPT
Anthracene SCHEMBL28971423 0.98 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL29891468 0.98 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL1167375 0.96 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL2701544 0.96 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1CYP1A2MAPT
Styrene SCHEMBL27365746 0.93 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL9006061 0.92 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1CYP1A2MAPT
Aniline SCHEMBL27634817 0.91 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL21786017 0.88 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1CYP1A2MAPT
Acrylic Acid SCHEMBL28600063 0.88 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP1A2MAPT

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-110494531-A Luminescent material, compound and organic illuminating element UNIV KYUSHU 2019-11-22 CN disclosed
CN-109153871-A The preparation of organic functional material 默克专利有限公司 2019-01-04 CN disclosed
CN-108886106-A Light-emitting component and its manufacturing method 住友化学株式会社 2018-11-23 CN disclosed
CN-106133936-B Organic electric-field light-emitting element material and use its organic electric-field light-emitting element 新日铁住金化学株式会社 2017-11-28 CN disclosed
CN-107408638-A Organic electric-field light-emitting element material and use its organic electric-field light-emitting element 新日铁住金化学株式会社 2017-11-28 CN disclosed
CN-106133937-B Organic electric-field light-emitting element material and use its organic electric-field light-emitting element 新日铁住金化学株式会社 2017-09-26 CN disclosed
CN-106133936-A Organic electric-field light-emitting element material and use its organic electric-field light-emitting element 新日铁住金化学株式会社 2016-11-16 CN disclosed
CN-103229324-B Organic electroluminescent device 新日铁住金化学株式会社 2016-08-10 CN disclosed