SCHEMBL84542

SCHEMBL84542

O=C=NC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.46
CES2 O00748 5/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
TDP1 Q9NUW8 6/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 3/20 0.42
CYP3A4 P08684 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
POLB P06746 1/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL11139683 1.00 CES1 (0.46) CES1CES2ALDH1A1TSHRDAO
Hydrochloric Acid SCHEMBL10824719 0.98 CES1 (0.44) CES1CES2ALDH1A1TSHRDAO
SCHEMBL3393415 0.87 TP53 (0.36) CES1CES2ALDH1A1TSHRMAPT
SCHEMBL11383708 0.87 SMN1; SMN2 (0.50) ALDH1A1L3MBTL1MAPTLMNAKDM4E
SCHEMBL5555845 0.85 TDP1 (0.40) CES1CES2ALDH1A1TDP1L3MBTL1
SCHEMBL3395919 0.84 L3MBTL1 (0.43) CES1CES2TSHRDAONAPRT
SCHEMBL28121325 0.83 CES1 (0.39) CES1CES2ALDH1A1TSHRDAO
SCHEMBL24728745 0.79 CES1 (0.44) CES1CES2ALDH1A1TSHRDAO
SCHEMBL8396 0.79 CES1 (0.44) CES1CES2ALDH1A1TSHRDAO
SCHEMBL24348886 0.79 CES1 (0.44) CES1CES2ALDH1A1TSHRDAO

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 2258 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026100817-A1 ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY COMPRISING SAME 동화일렉트로라이트 주식회사 2026-05-15 WO claimed
CN-118108630-A Synthetic method of substituted benzoyl isocyanate 安徽广信农化股份有限公司 2024-05-31 CN claimed
CN-117659327-A Method for catalytic synthesis of novel polyurethane elastomer and application thereof 青岛科技大学 2024-03-08 CN claimed
CN-116023335-A Benzoyl urea derivative and preparation method and application thereof 河北科技大学 2023-04-28 CN claimed
CN-115197113-A Combretastatin A-4 derivative containing thiourea structure, preparation method and application thereof 南通大学 2022-10-18 CN claimed
CN-113522048-B Oil-water separation membrane based on oxime carbamate bond, preparation method and application thereof 陕西科技大学 2022-07-01 CN claimed
CN-111004150-B Synthesis method of substituted benzoyl isocyanate 大连奇凯医药科技有限公司 2021-11-16 CN claimed
CN-113522048-A Oil-water separation membrane based on oxime carbamate bond, preparation method and application thereof 陕西科技大学 2021-10-22 CN claimed
CN-106892893-B Method for preparing lactide from lactic acid oligomer 中国科学院长春应用化学研究所 2020-09-25 CN claimed
CN-111004150-A Synthesis method of substituted benzoyl isocyanate 大连奇凯医药科技有限公司 2020-04-14 CN claimed
EP-0014881-B1 OXADIAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1982-02-17 EP claimed
EP-0044410-A1 Substituted N-benzoyl-N'-phenoxyphenyl ureas, preparation thereof and use as insecticides BASF Aktiengesellschaft (DE) 1982-01-27 EP claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
EP-0042732-A1 1-benzoyl-3-substituted ureas and thioureas, their preparation, insecticidal formulations containing them and their use as insecticides ELI LILLY AND COMPANY (US) 1981-12-30 EP claimed
EP-0031974-A2 New urea compounds and thiourea compounds, method of preparing the new compounds, and insecticidal compositions on the basis of these compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-07-15 EP claimed
EP-0014881-A1 Oxadiazine derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1980-09-03 EP claimed
EP-0013414-A2 Urea derivatives, process for their preparation and their use as insecticides CELAMERCK GmbH & Co. KG (DE) 1980-07-23 EP claimed
EP-0008881-A1 1-Benzoyl-3-pyridinyl ureas, their use as insecticides, their preparation and formulations containing them ELI LILLY AND COMPANY (US) 1980-03-19 EP claimed
US-4113759-A PIGMENTS FOR PAINTS, LACQUERS, INKS, PLASTICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-12 US claimed
US-3947412-A CYCLIZATION IN THE PRESENCE OF HEAVY METALS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-30 US claimed