Benzene

Benzene

SCHEMBL28074647

NC(=O)NC(=O)c1ccccc1.c1ccccc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
CYP1A2 P05177 1/20 0.62
HSD17B10 Q99714 2/20 0.56
HDAC3 O15379 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
IDO1 P14902 1/20 0.56
ALOX15 P16050 1/20 0.56
HDAC1 Q13547 1/20 0.56
CA9 Q16790 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 3/20 0.54

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
SCHEMBL40525 1.00 ALDH1A1 (0.69) ALDH1A1CYP1A2HSD17B10HDAC3CA12
SCHEMBL28166896 1.00 ALDH1A1 (0.69) ALDH1A1CYP1A2HSD17B10HDAC3CA12
Urea SCHEMBL28373374 0.98 ALDH1A1 (0.67) ALDH1A1CYP1A2HSD17B10HDAC3CA12
Fluoride SCHEMBL27889058 0.98 ALDH1A1 (0.67) ALDH1A1CYP1A2HSD17B10HDAC3CA12
Methane SCHEMBL28614489 0.98 ALDH1A1 (0.67) ALDH1A1CYP1A2HSD17B10HDAC3CA12
Hydrochloric Acid SCHEMBL30829222 0.98 ALDH1A1 (0.67) ALDH1A1CYP1A2HSD17B10HDAC3CA12
Hydrogen Sulfide SCHEMBL27878891 0.98 ALDH1A1 (0.67) ALDH1A1CYP1A2HSD17B10HDAC3CA12
Naphthalene SCHEMBL27966015 0.92 ALDH1A1 (0.60) ALDH1A1CYP1A2HSD17B10HDAC3CA12
SCHEMBL28089085 0.92 ALDH1A1 (0.60) ALDH1A1CYP1A2HSD17B10HDAC3CA12
Fluorobenzene SCHEMBL27659226 0.90 NPC1 (0.59) ALDH1A1CYP1A2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-205316875-U A rake dryer for dry benzoylurea insecticides product 江苏中旗作物保护股份有限公司 2016-06-15 CN claimed
CN-108849945-A Fipronil and process for preparation of benzoylurea compounds compound complex composition 安徽华星化工有限公司 2018-11-23 CN disclosed
CN-106614712-A Chlorpyrifos-methyl and benzoylurea pesticide containing composition, as well as preparation and application thereof 浙江新农化工股份有限公司 2017-05-10 CN disclosed
CN-205316875-U A rake dryer for dry benzoylurea insecticides product 江苏中旗作物保护股份有限公司 2016-06-15 CN disclosed