SCHEMBL28738239

SCHEMBL28738239

N[C@@H](Cc1ccccc1)[C@H](O)CN(C1CC1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPPL2A Q8TCT8 9/20 0.51
▸ PSEN1 P49768 6/20 0.51
▸ PSEN2 P49810 6/20 0.51
▸ APH1B Q8WW43 6/20 0.51
▸ NCSTN Q92542 6/20 0.51
▸ APH1A Q96BI3 6/20 0.51
▸ PSENEN Q9NZ42 6/20 0.51
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ DPP4 P27487 2/20 0.42
▸ DPP9 Q86TI2 2/20 0.42
▸ DPP7 Q9UHL4 2/20 0.42
▸ SPPL2B Q8TCT7 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ USP2 O75604 1/20 0.40

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
SCHEMBL28738241 1.00 SPPL2A (0.51) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738352 0.86 BACE1 (0.52) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738317 0.86 SPPL2A (0.48) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738351 0.86 BACE1 (0.52) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738316 0.86 SPPL2A (0.48) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738314 0.73 SPPL2A (0.51) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738312 0.73 SPPL2A (0.51) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL14390723 0.72 SPPL2A (0.54) SPPL2AF2ALDH1A1MAPT
SCHEMBL20839243 0.72 HDAC8 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20847632 0.70 HDAC8 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A

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-114230630-B Triptolide derivative and application thereof 郑州人民医院(郑州人民医院医疗管理中心) 2024-03-08 — — CN disclosed
CN-114230630-A Triptolide derivative and application thereof 郑州人民医院(郑州人民医院医疗管理中心) 2022-03-25 — — CN disclosed
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