SCHEMBL458

SCHEMBL458

O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.62
ALDH1A1 P00352 4/20 0.62
MAPT P10636 4/20 0.62
CTSB P07858 3/20 0.62
KDM4E B2RXH2 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
IDO1 P14902 2/20 0.62
TDO2 P48775 2/20 0.62
GAA P10253 1/20 0.62
TDP1 Q9NUW8 5/20 0.60
HPGD P15428 2/20 0.60
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
S100A4 P26447 1/20 0.55
HPRT1 P00492 1/20 0.53
GPR35 Q9HC97 2/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
LMNA P02545 2/20 0.51
PKM P14618 2/20 0.51

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
SCHEMBL29401731 1.00 CASP6 (0.62) CASP6ALDH1A1MAPTCTSBKDM4E
SCHEMBL1740621 0.98 CASP6 (0.61) CASP6ALDH1A1MAPTCTSBKDM4E
SCHEMBL1740623 0.98 CASP6 (0.61) CASP6ALDH1A1MAPTCTSBKDM4E
Sulfuric Acid SCHEMBL11438972 0.93 TDP1 (0.67) CASP6ALDH1A1MAPTCTSBKDM4E
SCHEMBL8483724 0.86 CTSB (0.61) CASP6ALDH1A1MAPTCTSBKDM4E
SCHEMBL28582319 0.86 CTSB (0.61) CASP6ALDH1A1MAPTCTSBKDM4E
SCHEMBL5500201 0.84 GPR35 (0.51) CASP6ALDH1A1MAPTCTSBKDM4E
SCHEMBL5692623 0.83 TDP1 (0.63) CASP6ALDH1A1MAPTCTSBKDM4E
SCHEMBL8899859 0.83 KDM4E (0.63) CASP6ALDH1A1MAPTCTSBKDM4E
SCHEMBL7806886 0.83 CASP6 (0.57) CASP6ALDH1A1MAPTCTSBKDM4E

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

Appears in 75095 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122070479-A Ultrasonic indicating device and method for monitoring ultrasonic treatment JP实验室股份有限公司 2026-05-19 CN claimed
US-12390989-B2 Methods and apparatuses for hollow and multi-material stereolithography UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-08-19 US claimed
WO-2025090061-A1 ULTRASONIC INDICATOR DEVICE AND METHOD FOR MONITORING ULTRASONICATION JP LABORATORIES, INC. (US) 2025-05-01 WO claimed
EP-4540328-A1 PHOSPHOR-CONTAINING INKS FOR DISINFECTION AND IMPROVING PHOTOSTABILITY OF SYNTHETIC POLYMERS The Boeing Company (US) 2025-04-23 EP claimed
WO-2025075611-A1 ULTRASONIC INDICATOR BASED ON EMULSION FORMATION JP LABORATORIES, INC. (US) 2025-04-10 WO claimed
CN-118324681-A Salicylic acid(s) -alpha-ethyl-2-oxo-1-pyrrolidine acetamide and crystal structure thereof 浙江理工大学 2024-07-12 CN claimed
CN-114854229-B Dye composed of active golden yellow 黄山普米特新材料有限公司 2024-07-12 CN claimed
CN-118334646-A Machine vision-based leek phenotype parameter quality grading system and grading method 重庆九格慧科技有限公司 2024-07-12 CN claimed
CN-118303446-A Preparation process and preparation device for edible nut shortbread for infants 舟山馋文化电子商务有限公司 2024-07-09 CN claimed
CN-118303610-A Beef and taxus chinensis spicy sauce and preparation method thereof 醉牛辣(河南)食品有限公司 2024-07-09 CN claimed
US-4232552-A THERMOCHROMISM, DISPOSABLE THERMOMETERS AKZONA INCORPORATED (US) 1980-11-11 US claimed
US-PP4606-P Lily plant named Gold Dust SUN VALLEY BULB FARMS, INC. (US) 1980-10-28 US claimed
US-4225475-A CONCENTRATE AND VEHICLE, FOR PRINTING PAPER PRODUCTS BORDEN, INC. (US) 1980-09-30 US claimed
US-4218491-A PASSING LIQUID CARBON DIOXIDE UPWARD THROUGH COLUMN OF HOPS TO EXTRACT ALPHA ACIDS THE BREWING RESEARCH FOUNDATION (GB) 1980-08-19 US claimed
US-PP4580-P Miniature rose plant WILLIAMS ERNEST D (US) 1980-07-29 US claimed
US-PP4557-P African violet plant GESSELLSCHAFTSVERTRAG UBER DIE ERFINDERGEMEINSCHAFT "OPTIMARA" (DE) 1980-06-24 US claimed
US-PP4301-P Rose plant ARMSTRONG NURSERIES, INC. (US) 1978-09-12 US claimed
US-PP4104-P Chrysanthemum plant YODER BROTHERS, INC. (US) 1977-09-13 US claimed
US-PP4021-P Apple tree DALTON WILLIAM E (US) 1977-03-08 US claimed
US-PP4004-P Chrysanthemum plant YODER BROTHERS, INC. (US) 1977-01-04 US claimed