SCHEMBL10413404

SCHEMBL10413404

CCN1CCN(C(=O)NC(C(=O)N[C@@H]2CN(C(=O)NS(=O)(=O)Nc3cc(C)sn3)C2=O)c2ccccc2)C(=O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39
▸ SLC22A11 Q9NSA0 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCKBR P32239 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 1/20 0.36

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
SCHEMBL10414809 0.92 MEN1 (0.35) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10414306 0.90 MAPT (0.33) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10414811 0.88 MAPT (0.31) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10751019 0.84 MEN1 (0.41) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10755934 0.84 MEN1 (0.41) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10756630 0.84 MEN1 (0.41) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10838601 0.83 MEN1 (0.44) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10616980 0.83 MEN1 (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10839195 0.83 MEN1 (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10413884 0.82 — —

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-4912214-A Containing azelidin-2-one ring HOFFMAN-LA ROCHE INC. (US) 1990-03-27 — — US disclosed
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