SCHEMBL29912752

SCHEMBL29912752

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 12/20 0.50
▸ HDAC3 O15379 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MDM2 Q00987 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TSPO P30536 1/20 0.31

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
SCHEMBL17882280 1.00 RIPK1 (0.50) RIPK1HDAC3HDAC6CES2CES1
SCHEMBL17874116 0.85 RIPK1 (0.61) RIPK1HDAC3HDAC6CES2CES1
SCHEMBL29912757 0.85 RIPK1 (0.61) RIPK1HDAC3HDAC6CES2CES1
SCHEMBL17882376 0.76 RIPK1 (0.61) RIPK1HDAC3HDAC6CES2CES1
SCHEMBL29912817 0.76 RIPK1 (0.61) RIPK1HDAC3HDAC6CES2CES1
SCHEMBL29046387 0.74 RIPK1 (0.66) RIPK1HDAC3HDAC6CES2CES1
SCHEMBL17882382 0.71 RIPK1 (0.67) RIPK1KDM4EALDH1A1
SCHEMBL29912774 0.71 RIPK1 (0.67) RIPK1KDM4EALDH1A1
SCHEMBL13036148 0.70 LMNA (0.37) LMNAALDH1A1
SCHEMBL14013300 0.69 RIPK1 (0.46) RIPK1HDAC3HDAC6CES2CES1

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 3 patents. 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
CN-115197098-A Cell necrosis inhibitor 北京生命科学研究所 2022-10-18 — — CN disclosed
CN-107108467-B Cell necrosis inhibitor 北京生命科学研究所 2022-08-19 — — CN disclosed
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