SCHEMBL201893

SCHEMBL201893

Nc1ccc(N)c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
CYP3A4 P08684 3/20 0.73
HPGD P15428 3/20 0.73
TDP1 Q9NUW8 3/20 0.73
TSHR P16473 2/20 0.73
HSD17B10 Q99714 2/20 0.73
IDO1 P14902 2/20 0.68
EP300 Q09472 2/20 0.68
KAT8 Q9H7Z6 2/20 0.68
HDAC3 O15379 1/20 0.68
KAT2B Q92831 1/20 0.68
NCOR2 Q9Y618 1/20 0.68
CHEK1 O14757 1/20 0.59
NEK2 P51955 1/20 0.59
LIMK1 P53667 1/20 0.59
DYRK1A Q13627 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
KEAP1 Q14145 2/20 0.58
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55

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
SCHEMBL29404342 1.00 ALDH1A1 (0.73) ALDH1A1CYP3A4HPGDTDP1TSHR
Hydrochloric Acid SCHEMBL7191297 0.96 CYP3A4 (0.69) ALDH1A1CYP3A4HPGDTDP1TSHR
SCHEMBL21854609 0.93 ALDH1A1 (0.87) ALDH1A1CYP3A4HPGDTDP1TSHR
Naphthalene SCHEMBL3945154 0.90 ALDH1A1 (0.65) ALDH1A1CYP3A4HPGDTDP1TSHR
SCHEMBL30851475 0.90 ALDH1A1 (0.61) ALDH1A1CYP3A4HPGDTDP1TSHR
SCHEMBL866216 0.90 ALDH1A1 (0.61) ALDH1A1CYP3A4HPGDTDP1TSHR
Ammonia Solution, Strong SCHEMBL1656490 0.87 KEAP1 (0.58) ALDH1A1CYP3A4HPGDTDP1TSHR
SCHEMBL29365003 0.85 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTDP1TSHR
SCHEMBL48843 0.85 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTDP1TSHR
SCHEMBL13452771 0.83 ALDH1A1 (0.60) ALDH1A1CYP3A4HPGDTDP1TSHR

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 2240 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4504931-A1 NOVEL URETHANASES FOR THE ENZYMATIC DEGRADATION OF POLYURETHANES Covestro Deutschland AG (DE) 2025-02-12 EP claimed
WO-2024212818-A1 PREPARATION METHOD FOR ANTI-STATIC POLYIMIDE RESIN 黄山聚鑫新材料有限公司 2024-10-17 WO claimed
WO-2024164689-A1 METHOD FOR PREPARING LITHIUM-ION BATTERY AND APPLICATION THEREOF 湖北亿纬动力有限公司 2024-08-15 WO claimed
CN-116554486-B Clover type adsorbent for high-selectivity adsorption of cobalt ions and preparation method thereof 合肥普力先进材料科技有限公司 2024-05-17 CN claimed
CN-117820586-A Cationic waterborne polyurethane type macromolecular dye and preparation method thereof 香港理工大学深圳研究院 2024-04-05 CN claimed
CN-117820601-A Naphthalene diisocyanate composition, preparation method and application thereof 万华化学集团股份有限公司 2024-04-05 CN claimed
CN-117659389-A Semi-aromatic polyamide with low water absorption and preparation method thereof 山东广垠新材料有限公司 2024-03-08 CN claimed
US-11919772-B2 Heteroatom doped polymer nanospheres/carbon nanospheres and preparation method thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2024-03-05 US claimed
CN-117623996-A Bivalent KEAP1-NRF2 inhibitor, preparation method and medical application thereof 中国药科大学 2024-03-01 CN claimed
EP-4321547-A1 CROSSLINKABLE SYSTEMS Prefere Resins Holding GmbH (DE) 2024-02-14 EP claimed
US-5106938-A Solvent resistance GENERAL ELECTRIC COMPANY (US) 1992-04-21 US claimed
US-4997891-A Polyurethane, polyesterimide SCHENECTADY CHEMICALS, INC. (US) 1991-03-05 US claimed
EP-0401606-A1 Melt crystalline polyetherimides GENERAL ELECTRIC COMPANY (US) 1990-12-12 EP claimed
US-4970278-A QUINONE-AMINE POLYMER, SILICA SOL OR ALKYL SILICATE KANEGAFUCHI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-13 US claimed
EP-0166321-B1 HYDROPHOBIC POLYAMIDES BAYER AG (DE) 1990-08-08 EP claimed
EP-0317943-A2 Polymers prepared from 4,4'-bis-[2-(3,4-(dicarboxyphenyl) hexafluoroisopropyl] diphenyl ether dianhydride HOECHST CELANESE CORPORATION (US) 1989-05-31 EP claimed
EP-0317306-A2 Method of preventing polymer scale deposition Kanegafuchi Chemical Industry Co., Ltd. (JP) 1989-05-24 EP claimed
US-4616053-A Hydrophobic polyamides BAYER AKTIENGESELLSCHAFT (DE) 1986-10-07 US claimed
EP-0166321-A2 Hydrophobic polyamides BAYER AG (DE) 1986-01-02 EP claimed
US-3970579-A Low melting liquid-crystal mixtures OWENS-ILLINOIS, INC. (US) 1976-07-20 US claimed