SCHEMBL30741018

SCHEMBL30741018

CCOC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1cccc([S+](C)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
JAK2 O60674 6/20 0.40
JAK3 P52333 6/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
BRAF P15056 1/20 0.38
CLEC4M Q9H2X3 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSP90AA1 P07900 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
DHODH Q02127 1/20 0.36
GCGR P47871 1/20 0.36
PDK2 Q15119 1/20 0.35

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
SCHEMBL30741066 0.89 KDM4E (0.41) KDM4EJAK2JAK3MAPTMRGPRX4
SCHEMBL30740997 0.87 KDM4E (0.48) KDM4EJAK2JAK3MAPTTP53
SCHEMBL30741023 0.84 KDM4E (0.45) KDM4EJAK2JAK3MAPTTP53
SCHEMBL30740966 0.84 SMN1; SMN2 (0.48) KDM4EJAK2JAK3MAPTTP53
SCHEMBL30741053 0.83 JAK2 (0.47) KDM4EJAK2JAK3MAPTMRGPRX4
SCHEMBL30741000 0.83 JAK2 (0.47) KDM4EJAK2JAK3MAPTTP53
SCHEMBL30741115 0.83 MAPT (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL30741058 0.83 KDM4E (0.45) KDM4EJAK2JAK3MAPTTP53
SCHEMBL30741106 0.82 NR1H2 (0.49) KDM4EJAK2JAK3MAPTTP53
SCHEMBL30741087 0.82 CNR2 (0.48) KDM4EJAK2JAK3MAPTTP53

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