SCHEMBL24860409

SCHEMBL24860409

CNC(=S)NCC(=O)N[C@@H](CCCNC(N)=O)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.38
▸ SIRT5 Q9NXA8 3/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ SHMT1 P34896 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KLK7 P49862 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALB P02768 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ QRFPR Q96P65 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.30
▸ SIRT1 Q96EB6 1/20 0.30
▸ NOD1 Q9Y239 1/20 0.30

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
SCHEMBL19203408 0.87 SIRT5 (0.41) C3AR1SIRT5CTDSP1SMN1; SMN2SIRT6
SCHEMBL20793387 0.85 C3AR1 (0.41) C3AR1SIRT5CTDSP1SHMT1MEN1
SCHEMBL20375713 0.85 C3AR1 (0.41) C3AR1SIRT5CTDSP1SHMT1MEN1
SCHEMBL18051173 0.85 C3AR1 (0.41) C3AR1SIRT5CTDSP1SHMT1MEN1
SCHEMBL21322742 0.83 SIRT5 (0.37) C3AR1SIRT5
SCHEMBL19203553 0.83 SIRT5 (0.37) C3AR1SIRT5
SCHEMBL26167079 0.79 C3AR1 (0.38) C3AR1SIRT5CTDSP1SHMT1MEN1
SCHEMBL21322470 0.79 SIRT5 (0.32) C3AR1SIRT5
SCHEMBL22788849 0.79 C3AR1 (0.36) C3AR1SIRT5CTDSP1SHMT1MEN1
SCHEMBL19170726 0.79 SIRT5 (0.42) C3AR1SIRT5KMT2ASIRT6SIRT1

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
EP-3408271-B1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMA (US) 2023-01-11 — — EP disclosed
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