SCHEMBL29954427

SCHEMBL29954427

COC(=O)C[C@H](N)c1ccc(C=O)nc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
KCNA5 P22460 10/20 0.33
TNF P01375 2/20 0.31
FGFR4 P22455 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
DPP4 P27487 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL29952225 1.00 MAPT (0.35) MAPTRAB9AALDH1A1HTTKCNA5
SCHEMBL27552110 0.81 MAPT (0.40) MAPTRAB9AALDH1A1HTTKCNA5
SCHEMBL5091415 0.80 NNMT (0.46) MAPTRAB9AALDH1A1HTTKDM4E
SCHEMBL7081677 0.80 NNMT (0.46) MAPTRAB9AALDH1A1HTTKDM4E
SCHEMBL15331982 0.77 SLC6A4 (0.41) KDM4E
SCHEMBL15330307 0.77 KCNJ1 (0.34)
SCHEMBL15329718 0.77 KCNJ1 (0.34)
SCHEMBL2555343 0.77 SLC6A4 (0.41) KDM4E
SCHEMBL15331456 0.76 KCNJ1 (0.35)
SCHEMBL15331646 0.76 KCNJ1 (0.35)

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed