Sugi Predict

Sugi Predict / Compounds / SCHEMBL28058268

SCHEMBL28058268

SCHEMBL28058268

CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.60
▸ KMT2A Q03164 1/20 0.55
▸ GHSR Q92847 1/20 0.55
▸ KISS1R Q969F8 4/20 0.54
▸ ECE1 P42892 2/20 0.54
▸ BCL2A1 Q16548 2/20 0.54
▸ BID P55957 1/20 0.54
▸ PRKACB P22694 1/20 0.53
▸ IL23R Q5VWK5 2/20 0.52

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
SCHEMBL28058267 1.00 MC4R (0.60) MC4RKMT2AGHSRKISS1RECE1
SCHEMBL13604887 0.94 MC4R (0.57) MC4RKMT2AKISS1RECE1BCL2A1
SCHEMBL30028772 0.94 MC4R (0.57) MC4RKMT2AKISS1RECE1BCL2A1
SCHEMBL29476543 0.93 MC4R (0.68) MC4RGHSRKISS1R
SCHEMBL19444259 0.93 MC4R (0.56) MC4RKMT2AKISS1RBCL2A1BID
SCHEMBL13599545 0.93 MC4R (0.56) MC4RKMT2AKISS1RBCL2A1BID
SCHEMBL13599541 0.92 MC4R (0.56) MC4RKMT2ABCL2A1BID
SCHEMBL30712843 0.92 MC4R (0.60) MC4RGHSRKISS1RIL23R
SCHEMBL28235858 0.92 ACE (0.57) MC4RKMT2AECE1
SCHEMBL31193750 0.90 NPY4R (0.58) MC4RGHSRKISS1RECE1PRKACB

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-105473553-A Compound for labeling sugar chain sample SUMITOMO BAKELITE CO 2016-04-06 — — CN disclosed
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