SCHEMBL1649527

SCHEMBL1649527

O=C(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.79
CA2 P00918 1/20 0.79
KMT2A Q03164 2/20 0.61
HTT P42858 1/20 0.61
CYP1A2 P05177 3/20 0.58
CYP2C9 P11712 2/20 0.58
GPR35 Q9HC97 5/20 0.53
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
TTR P02766 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
RECQL P46063 1/20 0.53
PMP22 Q01453 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL11529139 0.98 CA1 (0.76) CA1CA2KMT2AHTTCYP1A2
Ammonia Solution, Strong SCHEMBL8646817 0.98 CA1 (0.76) CA1CA2KMT2AHTTCYP1A2
SCHEMBL11072023 0.88 CA1 (0.69) CA1CA2KMT2AHTTCYP1A2
SCHEMBL8633874 0.88 CA1 (1.00) CA1CA2KMT2AHTTCYP1A2
SCHEMBL9737315 0.87 CA1 (0.67) CA1CA2KMT2AHTTCYP1A2
SCHEMBL1286515 0.87 CA1 (0.67) CA1CA2KMT2AHTTCYP1A2
SCHEMBL29563055 0.87 CA1 (0.67) CA1CA2KMT2AHTTCYP1A2
SCHEMBL20472194 0.87 CA1 (0.67) CA1CA2KMT2AHTTCYP1A2
SCHEMBL11776637 0.84 KMT2A (0.63) CA1CA2KMT2AHTTCYP1A2
SCHEMBL2820054 0.83 CA1 (0.58) CA1CA2KMT2AHTTCYP1A2

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 370 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250213737-A1 MICROSPHERE AND PREPARATION METHOD THEREOF PLATINUM OPTICS TECHNOLOGY INC. (TW) 2025-07-03 US claimed
EP-4578496-A1 MICROSPHERE AND PREPARATION METHOD THEREOF Platinum Optics Technology Inc. (TW) 2025-07-02 EP claimed
CN-120020110-A Metal-free acetaldehyde stabilizer and preparation method and application thereof 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-116731096-B 20-Aldehyde-23-piperidyl-5-O-carbomycaminose-tylosin lactone and its synthesis process and use 中国兽医药品监察所 2025-03-04 CN claimed
CN-119461298-A Modified sodium ferric pyrophosphate cathode material, preparation method thereof and electrochemical device 国网湖南省电力有限公司 2025-02-18 CN claimed
EP-3980769-B1 METHOD AND SENSOR FOR DETECTION OF TRIACETONE TRIPEROXIDE (TATP), DIACETONE DIPEROXIDE (DADP), HEXAMETHYLENE TRIPEROXIDE DIAMINE (HMTD) AND HYDROGEN PEROXIDE BUNDESREPUBLIK DEUTSCHLAND VERTRETEN DURCH DEN BUNDESMINISTER FUER WIRTSCH UND ENERGIE DIESER VERTRE (DE) 2025-01-22 EP claimed
CN-119192880-A Preparation method of archaized pigment 江苏众立生包装科技有限公司 2024-12-27 CN claimed
CN-118847229-A Preparation method of foam nickel-based heterogeneous Fenton-like catalyst 北方工业大学 2024-10-29 CN claimed
CN-117339613-A SiO is used as a material 2 -Al 2 O 3 Yolk-eggshell structure supported multielement complex metal phosphate system propane dehydrogenation catalyst and preparation method thereof 浙江卫星能源有限公司 2024-01-05 CN claimed
CN-116536020-B Primer for seawater pipeline repair adhesive tape and application thereof 天津泊荣石油科技发展有限公司 2023-10-27 CN claimed
EP-0029945-B1 PROCESS FOR THE MANUFACTURE OF ELECTRICALLY CONDUCTIVE POLYENES AND THEIR USE IN ELECTRICAL ENGINEERING AND IN RENDERING PLASTICS ANTISTATIC BASF Aktiengesellschaft (DE) 1982-09-15 EP claimed
US-4344870-A LEWIS ACIDS BASF AKTIENGESELLSCHAFT (DE) 1982-08-17 US claimed
US-4344869-A LEWIS ACIDS BASF AKTIENGESELLSCHAFT (DE) 1982-08-17 US claimed
US-4336201-A Preparation of electrically conductive carotenoids BASF AKTIENGESELLSCHAFT (DE) 1982-06-22 US claimed
US-4300001-A DISSOLVING IN OLEUM, FOR MAKING PHLOROGLUCINOL OCE-ANDENO B.V. (NL) 1981-11-10 US claimed
EP-0035715-A2 Process for preparing electrically conductive heteropolyaromatic substances and their use in electrotechnics and in the antistatic equipment of synthetics BASF Aktiengesellschaft (DE) 1981-09-16 EP claimed
EP-0035713-A2 Process for preparing electrically conductive heteropolyphenylenes and their use in electrotechnics and in the antistatic equipment of synthetics BASF Aktiengesellschaft (DE) 1981-09-16 EP claimed
US-4170669-A ACID- OR BASE-SOLUBILE OKADA ICHIRO (JP) 1979-10-09 US claimed
US-4129554-A PICRIC ACID, QUINONE, CHLORANIL, CYANOACETATE ESTER HITACHI CHEMICAL CO., LTD. (JP) 1978-12-12 US claimed
US-4088483-A SELENIUM, POLYVINYLCARBAZOLE, NITRATED BENZOIC ACID DERIVATIVE MINOLTA CAMERA KABUSHIKI KAISHA (JA) 1978-05-09 US claimed