SCHEMBL30740949

SCHEMBL30740949

CCOC(=O)c1c[nH]c(-c2ccc(SC)cc2)c1-c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
GAA P10253 3/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.46
MAPK10 P53779 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TARBP2 Q15633 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDCD4 Q53EL6 1/20 0.42
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
DDX3X O00571 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL30740932 0.88 ALDH1A1 (0.48) JAK2JAK3SMN1; SMN2MAPTNPC1
SCHEMBL30741037 0.84 KDM4E (0.43) GAASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL30741107 0.83 JAK2 (0.48) JAK2JAK3GAAPOLBHTT
SCHEMBL10982170 0.78 MDM2 (0.54) JAK2JAK3GAAMAPK10SMN1; SMN2
SCHEMBL5830691 0.76 JAK2 (0.53) JAK2JAK3GAAPOLBHTT
SCHEMBL2658889 0.75 JAK2 (0.54) JAK2JAK3GAAPOLBHTT
SCHEMBL30741086 0.75 KDM4E (0.43) JAK2JAK3GAAPOLBHTT
SCHEMBL29169669 0.74 HTT (0.49) JAK2JAK3GAAPOLBHTT
SCHEMBL30741058 0.74 KDM4E (0.45) JAK2JAK3GAAPOLBHTT
SCHEMBL5647424 0.73 MAPK14 (0.55) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN disclosed