SCHEMBL21597895

SCHEMBL21597895

CC(C)C(N)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(CO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 8/20 0.37
▸ SIRT1 Q96EB6 7/20 0.37
▸ SIRT3 Q9NTG7 3/20 0.37
▸ SIRT5 Q9NXA8 3/20 0.36
▸ NPY4R P50391 4/20 0.36
▸ NPY1R P25929 3/20 0.36
▸ NPY2R P49146 2/20 0.35
▸ NPY5R Q15761 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FURIN P09958 1/20 0.35

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
SCHEMBL21597894 1.00 SIRT2 (0.37) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL28444432 0.89 SIRT5 (0.36) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL28444433 0.89 FURIN (0.41) SIRT2SIRT1SIRT3SIRT5NPC1
SCHEMBL16424794 0.88 CA1 (0.47) SIRT2SIRT1SIRT3SIRT5
SCHEMBL29649566 0.87 SMN1; SMN2 (0.38) SIRT2SIRT1NPC1RAB9ASMN1; SMN2
SCHEMBL26026727 0.87 SMN1; SMN2 (0.38) SIRT2SIRT1NPC1RAB9ASMN1; SMN2
SCHEMBL21897675 0.86 NPY4R (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL20798924 0.85 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL18823531 0.85 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL18823479 0.85 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R

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
WO-2019243825-A1 SMALL MOLECULE MODULATORS OF HUMAN STING, CONJUGATES AND THERAPEUTIC APPLICATIONS CURADEV PHARMA LIMITED (GB) 2019-12-26 — — WO disclosed
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