SCHEMBL30943290

SCHEMBL30943290

CCN(CC)C(=O)c1coc2cc(NC(=O)NCc3ccncc3)ccc12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 16/20 0.69
▸ ALDH1A1 P00352 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL23320429 1.00 NAMPT (0.69) NAMPTALDH1A1RAB9AGAAKMT2A
SCHEMBL23320347 0.90 NAMPT (0.57) NAMPT
SCHEMBL23320444 0.82 NAMPT (1.00) NAMPTALDH1A1RAB9AGAAKMT2A
SCHEMBL23320570 0.79 NAMPT (0.41) NAMPTALDH1A1RAB9AGAAKMT2A
SCHEMBL20379196 0.77 NAMPT (0.80) NAMPTGAAKMT2A
SCHEMBL30943224 0.75 NAMPT (0.84) NAMPTHTT
SCHEMBL24042554 0.75 NAMPT (0.84) NAMPTHTT
SCHEMBL30323627 0.74 CA12 (0.50) NAMPTALDH1A1RAB9A
SCHEMBL28632960 0.74 CA12 (0.50) NAMPTALDH1A1RAB9A
SCHEMBL23320516 0.73 NAMPT (0.82) NAMPT

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-112654608-B Fused ring compound having urea structure 桑福德伯纳姆普利斯医学发现研究所 2024-05-07 — — CN disclosed
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