SCHEMBL25745892

SCHEMBL25745892

N/N=C(/CCCNC(=O)c1ccc(NC(N)=O)cn1)NN

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.41
▸ MAOB P27338 1/20 0.40
▸ GCGR P47871 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ P4HTM Q9NXG6 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
SCHEMBL25745966 0.80 EGLN2 (0.39) ALDH1A1HDAC3HDAC1
SCHEMBL25745961 0.80 LMNA (0.48) NAMPTMAOBGCGRHDAC6LMNA
SCHEMBL25745940 0.78 FPR2 (0.58) —
SCHEMBL25745964 0.76 MAOB (0.45) NAMPTMAOBGCGRHDAC3HDAC1
SCHEMBL25745959 0.75 NAMPT (0.68) NAMPTALDH1A1HDAC3HDAC1HDAC8
SCHEMBL25745949 0.71 KIT (0.53) NAMPTMAOBHDAC6
SCHEMBL25745885 0.70 NAMPT (0.48) NAMPTMAOBALDH1A1HDAC3HDAC1
SCHEMBL21379406 0.67 NAMPT (0.48) NAMPTMAOBGCGRHDAC3HDAC1
SCHEMBL24003401 0.65 MAOB (0.49) NAMPTMAOB
SCHEMBL13536072 0.63 KDR (0.44) NAMPTALDH1A1SMN1; SMN2HDAC3HDAC1

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-3781554-B1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2023-06-28 — — EP disclosed
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