SCHEMBL30740892

SCHEMBL30740892

CCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.44
EGLN1 Q9GZT9 2/20 0.43
ABL1 P00519 1/20 0.43
ADORA2A P29274 3/20 0.42
PTPN5 P54829 1/20 0.42
CETP P11597 6/20 0.42
KCNH2 Q12809 1/20 0.41
IKBKB O14920 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
DGAT1 O75907 1/20 0.39
TRPA1 O75762 1/20 0.38

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
SCHEMBL27189066 1.00 CASP6 (0.44) CASP6EGLN1ABL1ADORA2APTPN5
SCHEMBL30106290 0.87 CASP6 (0.45) CASP6IKBKBHSP90AA1HSP90AB1TRPV1
SCHEMBL29158613 0.85 TARBP2 (0.48) PTPN5IKBKBHSP90AA1PTGDR2
SCHEMBL27189073 0.85 DGAT1 (0.49) CASP6EGLN1IKBKBTRPV1DGAT1
SCHEMBL29158605 0.84 CASP6 (0.43) CASP6IKBKBHSP90AA1HSP90AB1TRPV1
SCHEMBL27189106 0.84 SMN1; SMN2 (0.54) CASP6IKBKBHSP90AA1HSP90AB1TRPV1
SCHEMBL29158717 0.83 IKBKB (0.46) CASP6IKBKBHSP90AA1HSP90AB1TRPV1
SCHEMBL30740883 0.83 IKBKB (0.46) CASP6IKBKBHSP90AA1HSP90AB1TRPV1
SCHEMBL27189103 0.82 IKBKB (0.46) CASP6IKBKBHSP90AA1HSP90AB1TRPV1
SCHEMBL30106359 0.82 GSK3B (0.51) IKBKBHSP90AA1HSP90AB1TRPV1DGAT1

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 2 patents. 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 claimed
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