SCHEMBL25745964

SCHEMBL25745964

C=C(O)CCNC(=O)c1ccc(NC(N)=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.45
▸ GCGR P47871 8/20 0.44
▸ NAMPT P43490 3/20 0.43
▸ HDAC3 O15379 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ P4HTM Q9NXG6 2/20 0.42

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
SCHEMBL25745961 0.83 LMNA (0.48) MAOBGCGRNAMPTHDAC6
SCHEMBL25745959 0.79 NAMPT (0.68) NAMPTHDAC3HDAC1HDAC8HDAC4
SCHEMBL25745949 0.76 KIT (0.53) MAOBNAMPTHDAC6
SCHEMBL25745892 0.76 NAMPT (0.41) MAOBGCGRNAMPTHDAC3HDAC1
SCHEMBL25745885 0.76 NAMPT (0.48) MAOBNAMPTHDAC3HDAC1HDAC8
SCHEMBL21379406 0.75 NAMPT (0.48) MAOBGCGRNAMPTHDAC3HDAC1
SCHEMBL22341942 0.69 P4HTM (0.46) MAOBGCGRNAMPTHDAC3HDAC1
SCHEMBL27482073 0.67 GCGR (0.50) MAOBGCGR
SCHEMBL16785423 0.67 KCNQ3 (0.60) —
SCHEMBL20255231 0.67 ALDH1A1 (0.52) —

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
Send feedback