SCHEMBL28958718

SCHEMBL28958718

CN(Cc1cccc(F)c1)C(=O)c1ccc(Cl)o1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCD5 Q86SK9 1/20 0.53
▸ RIPK1 Q13546 1/20 0.52
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ CLK1 P49759 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47
▸ HSD17B1 P14061 2/20 0.46
▸ HSD17B2 P37059 2/20 0.46
▸ LIPE Q05469 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.43
▸ LIMK2 P53671 1/20 0.42

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
SCHEMBL28958770 0.85 HSP90AA1 (0.58) RIPK1MEN1KMT2AALDH1A1HPGD
SCHEMBL28958704 0.85 NSD2 (0.51) RIPK1MEN1KMT2AALDH1A1HPGD
SCHEMBL17266198 0.75 MEN1 (0.67) SCD5RIPK1MEN1KMT2AALDH1A1
SCHEMBL6417274 0.75 RIPK1 (0.64) SCD5RIPK1MEN1KMT2AALDH1A1
SCHEMBL29565351 0.73 RIPK1 (0.65) SCD5RIPK1MEN1KMT2AALDH1A1
SCHEMBL10548973 0.72 RIPK1 (0.53) RIPK1MEN1KMT2AALDH1A1HPGD
SCHEMBL13738659 0.72 RIPK1 (0.72) SCD5RIPK1MEN1KMT2AALDH1A1
SCHEMBL10546758 0.70 RIPK1 (0.51) RIPK1MEN1KMT2AALDH1A1HPGD
SCHEMBL11195318 0.69 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HPGDHSD17B1
SCHEMBL30989909 0.69 CLK1 (0.48) SCD5RIPK1MEN1KMT2AALDH1A1

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-115707699-A Anti-osteoporosis compound and application thereof 中国医学科学院医药生物技术研究所 2023-02-21 — — CN disclosed
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