SCHEMBL26429562

SCHEMBL26429562

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccc(I)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.55
▸ SIRT5 Q9NXA8 3/20 0.55
▸ F2 P00734 2/20 0.54
▸ PRSS1 P07477 2/20 0.54
▸ PRSS2 P07478 2/20 0.54
▸ PRSS3 P35030 2/20 0.54
▸ KDM1A O60341 9/20 0.54
▸ MAOA P21397 7/20 0.54
▸ RCOR1 Q9UKL0 3/20 0.54
▸ KDM1B Q8NB78 1/20 0.54
▸ MAOB P27338 2/20 0.53
▸ SIRT1 Q96EB6 3/20 0.53
▸ SIRT2 Q8IXJ6 3/20 0.53
▸ SIRT3 Q9NTG7 2/20 0.53

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
SCHEMBL26430196 0.90 SIRT5 (0.53) SIRT5SIRT1SIRT2SIRT3
SCHEMBL2193250 0.88 SSTR3 (0.57) CTSLSIRT5F2PRSS1PRSS2
SCHEMBL8495706 0.88 CTSL (0.54) CTSLSIRT5F2PRSS1PRSS2
SCHEMBL8495526 0.88 CTSL (0.54) CTSLSIRT5F2PRSS1PRSS2
SCHEMBL5929274 0.86 CTSL (0.73) CTSLSIRT2
SCHEMBL3381295 0.86 CTSL (0.64) CTSLSIRT1SIRT2
SCHEMBL18831943 0.86 SIRT5 (0.60) SIRT5F2PRSS1PRSS2PRSS3
SCHEMBL18831940 0.86 SIRT5 (0.60) SIRT5F2PRSS1PRSS2PRSS3
SCHEMBL17289476 0.84 SIRT5 (0.55) SIRT5F2PRSS1PRSS2PRSS3
SCHEMBL1803249 0.84 SIRT5 (0.54) SIRT5SIRT1SIRT2SIRT3

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-2022203930-A9 FLUOROGENIC CYANINE CARBAMATES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-04-27 — — WO disclosed
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