SCHEMBL29664668

SCHEMBL29664668

O=C(O)c1sc2ccccc2c1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.65
MAPK1 P28482 2/20 0.54
LMNA P02545 1/20 0.54
PRNP P04156 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
LIMK1 P53667 2/20 0.50
IKBKB O14920 1/20 0.50
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
EDNRA P25101 1/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 2/20 0.45
HPGD P15428 2/20 0.45

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
SCHEMBL941112 1.00 MCL1 (0.65) MCL1MAPK1LMNAPRNPRXFP1
SCHEMBL9495317 0.83 LMNA (0.82) MCL1MAPK1LMNAPRNPRXFP1
SCHEMBL25904738 0.83 LMNA (0.82) MCL1MAPK1LMNAPRNPRXFP1
SCHEMBL21361785 0.80 MCL1 (0.51) MCL1MAPK1LMNAPRNPRXFP1
SCHEMBL647033 0.80 MCL1 (0.65) MCL1MAPK1LMNAPRNPRXFP1
SCHEMBL6234185 0.80 MCL1 (0.55) MCL1MAPK1LMNAPRNPRXFP1
SCHEMBL9495716 0.79 ALDH1A1 (0.64) MAPK1LMNAPRNPRXFP1KDM4E
SCHEMBL8666781 0.78 MCL1 (0.58) MCL1MAPK1LMNAPRNPRXFP1
SCHEMBL3495901 0.78 MCL1 (0.49) MCL1MAPK1LMNAPRNPRXFP1
SCHEMBL1398747 0.78 PRNP (0.53) MCL1MAPK1LMNAPRNPRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775321-A 4, 7-Diaryl thieno [2,3-d ] pyridazine iridium complex, and preparation method and application thereof 湖北文理学院 2025-04-08 CN claimed
CN-114561025-B Pyridinium-modified UiO-66 compound, preparation method and application 辽宁师范大学 2023-02-03 CN claimed
CN-114561025-A Pyridinium-modified UiO-66 compound, preparation method and application 辽宁师范大学 2022-05-31 CN claimed
CN-119775321-A 4, 7-Diaryl thieno [2,3-d ] pyridazine iridium complex, and preparation method and application thereof 湖北文理学院 2025-04-08 CN disclosed
CN-116571280-A For CO 2 Cycloaddition reaction ionic metal-organic framework catalyst and preparation method and application thereof 辽宁师范大学 2023-08-11 CN disclosed
CN-114561025-B Pyridinium-modified UiO-66 compound, preparation method and application 辽宁师范大学 2023-02-03 CN disclosed
CN-110683940-B Method for converting dibenzo [ c, e ] [1,2] oxathiane-6-oxide compound 中国科学院成都生物研究所 2022-07-01 CN disclosed
CN-114561025-A Pyridinium-modified UiO-66 compound, preparation method and application 辽宁师范大学 2022-05-31 CN disclosed