SCHEMBL30740932

SCHEMBL30740932

CCOC(=O)c1c[nH]c(-c2ccc(SC)cc2)c1-c1cccc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
STK10 O94804 1/20 0.42
GSK3B P49841 1/20 0.42
SLK Q9H2G2 1/20 0.42
JAK2 O60674 4/20 0.41
JAK3 P52333 4/20 0.41
CSNK1D P48730 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 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
SCHEMBL30740949 0.88 JAK2 (0.49) ALDH1A1KDM4EGSK3BJAK2JAK3
SCHEMBL30741053 0.85 JAK2 (0.47) ALDH1A1KDM4EJAK2JAK3CSNK1D
SCHEMBL30741058 0.80 KDM4E (0.45) ALDH1A1KDM4EJAK2JAK3HPGD
SCHEMBL30741037 0.78 KDM4E (0.43) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL30741000 0.77 JAK2 (0.47) ALDH1A1KDM4EJAK2JAK3HPGD
SCHEMBL2658905 0.76 KDM4E (0.55) ALDH1A1KDM4EJAK2JAK3CSNK1D
SCHEMBL10982170 0.76 MDM2 (0.54) ALDH1A1KDM4EJAK2JAK3HPGD
SCHEMBL30741086 0.75 KDM4E (0.43) ALDH1A1KDM4EJAK2JAK3HPGD
SCHEMBL30740997 0.74 KDM4E (0.48) ALDH1A1KDM4EJAK2JAK3HPGD
SCHEMBL30741107 0.72 JAK2 (0.48) ALDH1A1KDM4EJAK2JAK3HPGD

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