SCHEMBL29046387

SCHEMBL29046387

CC(C)C(=O)N(C)Cc1cc(F)cc(F)c1F

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 13/20 0.66
▸ CES2 O00748 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 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
SCHEMBL29912817 0.83 RIPK1 (0.61) RIPK1CES2CES1DPP4DPP9
SCHEMBL17882376 0.83 RIPK1 (0.61) RIPK1CES2CES1DPP4DPP9
SCHEMBL29912757 0.83 RIPK1 (0.61) RIPK1CES2CES1HDAC3HDAC6
SCHEMBL17874116 0.83 RIPK1 (0.61) RIPK1CES2CES1HDAC3HDAC6
SCHEMBL17882413 0.79 RIPK1 (1.00) RIPK1CES2CES1DPP4DPP9
SCHEMBL29912938 0.79 RIPK1 (1.00) RIPK1CES2CES1DPP4DPP9
SCHEMBL17882414 0.76 RIPK1 (0.76) RIPK1CES2CES1
SCHEMBL19448802 0.76 RIPK1 (0.76) RIPK1CES2CES1
SCHEMBL17882182 0.76 RIPK1 (0.87) RIPK1CES2CES1MEN1KMT2A
SCHEMBL17882381 0.76 RIPK1 (1.00) RIPK1

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-115197098-B Cell necrosis inhibitor 北京生命科学研究所 2023-08-08 — — CN disclosed
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