SCHEMBL23320347

SCHEMBL23320347

CCN(CC)C(=O)c1coc2cc(NC(=O)NCCc3ccncc3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.57
▸ KDM4E B2RXH2 1/20 0.48
▸ PRMT3 O60678 2/20 0.45
▸ ROCK2 O75116 4/20 0.44
▸ ROCK1 Q13464 2/20 0.44
▸ CNR1 P21554 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30943290 0.90 NAMPT (0.69) NAMPT
SCHEMBL23320429 0.90 NAMPT (0.69) NAMPT
SCHEMBL23320516 0.83 NAMPT (0.82) NAMPTKDM4EPRMT3ROCK2ROCK1
SCHEMBL23320570 0.78 NAMPT (0.41) NAMPTKDM4ESMN1; SMN2
SCHEMBL23320448 0.73 PRMT3 (0.48) NAMPTKDM4EPRMT3ROCK2ROCK1
SCHEMBL23320444 0.73 NAMPT (1.00) NAMPTPRMT3
SCHEMBL30323627 0.72 CA12 (0.50) NAMPTKDM4ESMN1; SMN2
SCHEMBL28632960 0.72 CA12 (0.50) NAMPTKDM4ESMN1; SMN2
SCHEMBL23320477 0.72 NAMPT (0.60) NAMPTKDM4EPRMT3ROCK2ROCK1
SCHEMBL2056389 0.70 KDM4E (0.72) NAMPTKDM4EROCK2ROCK1CNR1

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-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP disclosed
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