SCHEMBL30102568

SCHEMBL30102568

N#Cc1ccccc1I.[Na]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
DYRK1A Q13627 2/20 0.45
MCL1 Q07820 3/20 0.41
IMPDH2 P12268 2/20 0.40
IMPDH1 P20839 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ESR2 Q92731 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM4 Q14833 1/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL29503624 0.97
SCHEMBL365279 0.97
Lithium SCHEMBL30123866 0.95 TSHR (0.48) TSHRDYRK1AMCL1IMPDH2IMPDH1
SCHEMBL27878163 0.95 TSHR (0.48) TSHRDYRK1AMCL1IMPDH2IMPDH1
Potassium SCHEMBL30102564 0.95 TSHR (0.48) TSHRDYRK1AMCL1IMPDH2IMPDH1
SCHEMBL28971836 0.95 TSHR (0.48) TSHRDYRK1AMCL1IMPDH2IMPDH1
SCHEMBL28531044 0.95 TSHR (0.48) TSHRDYRK1AMCL1IMPDH2IMPDH1
Isobutanol SCHEMBL1665884 0.80 TSHR (0.41) TSHRDYRK1AESR2ALDH1A1HPGD
SCHEMBL25760734 0.78 ESR2 (0.48) TSHRDYRK1AMCL1IMPDH2IMPDH1
SCHEMBL4342357 0.77 DYRK1A (0.48) TSHRDYRK1AMCL1IMPDH2IMPDH1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120130475-A Use of biphenyl sulfide-containing compound or composition thereof for improving stress resistance of plants 海利尔药业集团股份有限公司 2025-06-13 CN disclosed
CN-120130476-A Application of diphenyl sulfide-containing compound in preventing and treating sunscald disease of crops 海利尔药业集团股份有限公司 2025-06-13 CN disclosed
CN-115024314-B Agricultural chemical composition 巴特尔英国有限公司 2025-05-09 CN disclosed
CN-118318839-A Use of substituted phenylamide isoxazoline compound for controlling thysanoptera pests 海利尔药业集团股份有限公司 2024-07-12 CN disclosed
CN-118290356-A Substituted benzil isoxazoline compound and application of preparation containing substituted benzil isoxazoline compound in preventing and controlling harmful mites and reducing reproductive power of harmful mites 海利尔药业集团股份有限公司 2024-07-05 CN disclosed
CN-113631038-B Herbicidal 3-phenylisoxazoline-5-carboxamides containing S-cyclopentenyl carboxylic acid esters 拜耳公司 2023-06-30 CN disclosed
CN-115803320-A Heterocyclyl pyrimidines and triazines as novel fungicides 拜耳公司 2023-03-14 CN disclosed
CN-115803317-A Azabicyclo (thio) amides as fungicidal compounds 拜耳作物科学股份公司 2023-03-14 CN disclosed
CN-115698021-A Substituted thiazolopyridines, salts thereof and their use as herbicidal active substances 拜耳公司 2023-02-03 CN disclosed
CN-115551352-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-30 CN disclosed