SCHEMBL29090602

SCHEMBL29090602

COC(=O)C(=O)NC(CF)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
TET2 Q6N021 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL29090598 0.83 EGLN1 (0.42) EGLN1
SCHEMBL10900406 0.72
SCHEMBL14334779 0.70
SCHEMBL18343413 0.67 ALDH1A1 (0.33)
SCHEMBL28990908 0.64 KMT2A (0.34)
SCHEMBL23762499 0.63 TGFBR1 (0.42) TGFBR1TET2EGLN1
SCHEMBL9745667 0.63 ALDH1A1 (0.41) TGFBR1TET2EGLN1
SCHEMBL22693682 0.63 TGFBR1 (0.42) TGFBR1TET2EGLN1
SCHEMBL29131508 0.61 TSHR (0.35) TGFBR1EGLN1
SCHEMBL12694106 0.61 TGFBR1 (0.55) TGFBR1TET2EGLN1

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-115551870-A Spirocyclic inhibitors of hepatitis B virus 圣拉斐尔医院有限公司 2022-12-30 CN disclosed