SCHEMBL28738317

SCHEMBL28738317

NC(Cc1ccccc1)C(O)CN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPPL2A Q8TCT8 9/20 0.48
▸ PSEN1 P49768 6/20 0.48
▸ PSEN2 P49810 6/20 0.48
▸ APH1B Q8WW43 6/20 0.48
▸ NCSTN Q92542 6/20 0.48
▸ APH1A Q96BI3 6/20 0.48
▸ PSENEN Q9NZ42 6/20 0.48
▸ MMP2 P08253 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ NR3C1 P04150 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ ANPEP P15144 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SPPL2B Q8TCT7 1/20 0.38

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
SCHEMBL28738316 1.00 SPPL2A (0.48) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738241 0.86 SPPL2A (0.51) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738239 0.86 SPPL2A (0.51) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738352 0.83 BACE1 (0.52) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738351 0.83 BACE1 (0.52) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738354 0.80 SPPL2A (0.59) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738226 0.80 SPPL2A (0.59) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1234685 0.80 SPPL2A (0.68) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL469706 0.80 SPPL2A (0.68) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738222 0.80 SPPL2A (0.59) SPPL2APSEN1PSEN2APH1BNCSTN

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-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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