SCHEMBL28265709

SCHEMBL28265709

O=CNc1ccc(=O)[nH]c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.36
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
POLB P06746 1/20 0.33
IDH1 O75874 3/20 0.33
AOC3 Q16853 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FKBP5 Q13451 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL469386 0.72 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2
SCHEMBL10830069 0.70 ALDH1A1 (0.36) ALDH1A1LMNA
SCHEMBL1996863 0.68
SCHEMBL30066038 0.68 ALDH1A1 (0.54) ALDH1A1LMNAPOLBSMN1; SMN2HPGD
SCHEMBL12403890 0.68 ALDH1A1 (0.40) ALDH1A1SCN8ASCN10APOLBSMN1; SMN2
SCHEMBL12473388 0.68 MAPT (0.41) ALDH1A1LMNASCN8ASCN10APOLB
SCHEMBL28223523 0.67 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13135971 0.67 SMN1; SMN2 (0.52) ALDH1A1SCN8ASCN10APOLBSMN1; SMN2
SCHEMBL18893523 0.65 AR (0.43) ALDH1A1LMNASCN8ASCN10ASMN1; SMN2
SCHEMBL11119158 0.65 LMNA (0.57) ALDH1A1LMNASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795116-B Tosylate of MEK kinase inhibitor, crystal form and preparation method thereof JIANGSU HENGRUI MEDICINE CO.,LTD. (CN) 2019-11-01 CN claimed
CN-109790146-A Medical compounds 阿尔麦克探索有限公司 2019-05-21 CN disclosed
CN-109641874-A C for target protein degradation3The glutarimide degron body of carbon connection C4医药公司 2019-04-16 CN disclosed
CN-109562107-A Heterocyclic degrading ligand for target protein degradation C4医药公司 2019-04-02 CN disclosed
CN-109195965-A The inhibitor that WDR5 protein-protein combines 普罗佩纶治疗公司 2019-01-11 CN disclosed