SCHEMBL85918

SCHEMBL85918

O=[N+]([O-])c1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 1.00
ALDH1A1 P00352 5/20 0.60
VCAM1 P19320 1/20 0.60
KMT2A Q03164 2/20 0.58
TDP1 Q9NUW8 3/20 0.54
PDE7A Q13946 6/20 0.53
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE7B Q9NP56 1/20 0.50
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR35 Q9HC97 1/20 0.48
PTPRC P08575 1/20 0.48
S100A4 P26447 1/20 0.48

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
SCHEMBL29360183 1.00 HSD17B10 (1.00) HSD17B10ALDH1A1VCAM1KMT2ATDP1
Ethylene SCHEMBL27630503 0.96 HSD17B10 (0.91) HSD17B10ALDH1A1VCAM1KMT2ATDP1
Formic Acid SCHEMBL28068476 0.90 HSD17B10 (0.81) HSD17B10ALDH1A1VCAM1KMT2ATDP1
Alcohol SCHEMBL28147802 0.88 HSD17B10 (0.78) HSD17B10ALDH1A1VCAM1KMT2ATDP1
Aniline SCHEMBL27986586 0.85 HSD17B10 (0.72) HSD17B10ALDH1A1VCAM1KMT2ATDP1
Phenol SCHEMBL28068365 0.85 HSD17B10 (0.72) HSD17B10ALDH1A1VCAM1KMT2APDE7A
Potassium Ion SCHEMBL10631153 0.85 HSD17B10 (0.73) HSD17B10ALDH1A1VCAM1KMT2ATDP1
SCHEMBL10405791 0.84 HSD17B10 (0.72) HSD17B10ALDH1A1VCAM1KMT2ATDP1
SCHEMBL9488895 0.84 TSHR (0.73) HSD17B10ALDH1A1VCAM1KMT2ATDP1
Dinitrochlorobenzene SCHEMBL39251 0.82 HSD17B10 (0.69) HSD17B10ALDH1A1VCAM1KMT2ATDP1

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 1623 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727911-A2 FLUORINATION METHODS, REAGENTS, FLUORINATED COMPOSITIONS, AND METHODS OF MANUFACTURE FLUOROK LIMITED (GB) 2026-04-22 EP claimed
WO-2024256871-A2 FLUORINATION METHODS, REAGENTS, FLUORINATED COMPOSITIONS, AND METHODS OF MANUFACTURE FLUOROK LIMITED (GB) 2024-12-19 WO claimed
CN-117945916-B Process for preparing 3, 4-dichloronitrobenzene by sulfur trioxide nitration 乐平市景顺实业有限公司 2024-07-12 CN claimed
CN-118022636-A Reaction device for continuous multi-stage catalytic hydrogenation of halogenated nitrobenzene and application method thereof 浙江友联化学工业有限公司 2024-05-14 CN claimed
CN-118002029-A Fixed bed for continuous catalytic hydrogenation and hydrogenation reaction method thereof 浙江友联化学工业有限公司 2024-05-10 CN claimed
CN-117945916-A Process for preparing 3, 4-dichloronitrobenzene by sulfur trioxide nitration 乐平市景顺实业有限公司 2024-04-30 CN claimed
CN-117820123-A Method for separating and purifying 2, 3-dichloronitrobenzene and 3, 4-dichloronitrobenzene by liquid phase adsorption 中触媒新材料股份有限公司 2024-04-05 CN claimed
CN-117800808-A Preparation method of 2, 4-dichloro fluorobenzene 帕潘纳(北京)科技有限公司 2024-04-02 CN claimed
CN-117486728-A Efficient circulating fluorination reagent and preparation method and application thereof 山东国邦药业有限公司 2024-02-02 CN claimed
CN-114931967-B Preparation method and application of catalyst for preparing aromatic amine by selective hydrogenation of aromatic nitro compound 浙江师范大学 2023-12-08 CN claimed
US-4375550-A Hydrogenation of halogen-substituted aromatic nitro compounds JOHNSON, MATTHEY & CO., LIMITED (GB) 1983-03-01 US claimed
EP-0029460-B1 PROCESS FOR PREPARING AROMATIC URETHANE MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-12-29 EP claimed
EP-0019789-B1 Process for the preparation of 1,3,5-trichlorobenzene HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-30 EP claimed
EP-0029460-A1 PROCESS FOR PREPARING AROMATIC URETHANE MITSUI TOATSU CHEMICALS, Inc. (JP) 1981-06-03 EP claimed
US-4264769-A BY REACTING A DIHYDROXYBENZENE WITH A HETEROCYCLIC OR PHENYL HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-28 US claimed
US-4230637-A Process for the preparation of chlorine-substituted aromatic amines BAYER AKTIENGESELLSCHAFT (DE) 1980-10-28 US claimed
US-4212824-A PLATINUM, IRON OXIDE OR HYDROXIDE ON CARBON BLACK E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-07-15 US claimed
US-4178455-A FROM AROMATIC NITRO COMPOUND, ALCOHOL AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-12-11 US claimed
US-4070401-A HYDROGENATION, DEHALOGENATION INHIBITOR MITSUI TOATSU CHEMICALS INC. (JA) 1978-01-24 US claimed
US-4020107-A ACIDIC PHOSPHORUS COMPOUND DEHALOGENATION INHIBITOR E. I. DU PONT DE NEMOURS AND CO. (US) 1977-04-26 US claimed