SCHEMBL28501418

SCHEMBL28501418

NP(O)(=S)c1ccccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BCAT2 O15382 1/20 0.39
BACE1 P56817 1/20 0.38
DPP4 P27487 1/20 0.38
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33

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
SCHEMBL1256223 0.83 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDBCL2L1BCAT2
SCHEMBL28495219 0.79 BCAT2 (0.44) ALDH1A1HSD17B10HPGDBCL2L1BCAT2
SCHEMBL30480947 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDBCL2L1BCAT2
SCHEMBL1965079 0.74 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDBCL2L1BCAT2
SCHEMBL563975 0.74 POLB (0.47) ALDH1A1HSD17B10HPGDBCL2L1BCAT2
SCHEMBL11510900 0.74 CYP2A6 (0.44) ALDH1A1HSD17B10HPGDBCL2L1BCAT2
SCHEMBL11770352 0.71 GPR84 (0.43) ALDH1A1HSD17B10HPGDBCL2L1BCAT2
SCHEMBL1256220 0.71 GPR84 (0.43) ALDH1A1HSD17B10HPGDBCL2L1BCAT2
SCHEMBL30729584 0.71 ACP3 (0.47) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL3646058 0.69 CA2 (0.46) ALDH1A1HSD17B10HPGDBCL2L1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585370-A Oligonucleotide compositions and methods of use thereof 波涛生命科学有限公司 2022-06-03 CN disclosed
CN-114502177-A Oligonucleotide compositions and methods of use thereof 波涛生命科学有限公司 2022-05-13 CN disclosed
CN-113748116-A Techniques useful for oligonucleotide preparation 波涛生命科学有限公司 2021-12-03 CN disclosed
CN-113383078-A Oligonucleotide compositions and methods thereof 波涛生命科学有限公司 2021-09-10 CN disclosed
CN-112218664-A Oligonucleotide compositions and methods of use thereof 波涛生命科学有限公司 2021-01-12 CN disclosed
CN-112004928-A Oligonucleotide compositions and methods of use thereof 波涛生命科学有限公司 2020-11-27 CN disclosed