SCHEMBL10404500

SCHEMBL10404500

CCN1CCN(C(=O)NC([C]=S)c2ccc(O)cc2)C(=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38
▸ SLC22A11 Q9NSA0 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ UGCG Q16739 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31

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
SCHEMBL10404091 0.89 ALDH1A1 (0.37) MAPTPOLBGAASMN1; SMN2L3MBTL1
SCHEMBL6875807 0.89 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10404262 0.88 POLB (0.35) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10264244 0.83 MAPT (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL12318187 0.83 MAPT (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL22726436 0.82 PDE2A (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL9327248 0.81 MAPT (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL9567734 0.81 MAPT (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10205112 0.81 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11431737 0.81 MAPT (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 — — EP disclosed
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