SCHEMBL10404262

SCHEMBL10404262

CCN1CCN(C(=O)NC([C]=S)c2ccc(O)c(O)c2)C(=O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 5/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ SLC22A8 Q8TCC7 1/20 0.33
▸ SLC22A11 Q9NSA0 1/20 0.33
▸ HSD17B10 Q99714 4/20 0.32
▸ TSHR P16473 3/20 0.32
▸ THRB P10828 1/20 0.32
▸ TDP1 Q9NUW8 6/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ GAA P10253 3/20 0.32
▸ ADRB2 P07550 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ BLM P54132 2/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32

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
SCHEMBL8622217 0.90 POLB (0.35) POLBSMN1; SMN2MAPTPDE3ASLC22A6
SCHEMBL10404500 0.88 MAPT (0.38) POLBSMN1; SMN2MAPTPDE3ASLC22A6
SCHEMBL10404091 0.84 ALDH1A1 (0.37) POLBSMN1; SMN2MAPTGAAHDAC1
SCHEMBL10404263 0.83 POLB (0.35) POLBSMN1; SMN2MAPTPDE3ASLC22A6
SCHEMBL10817167 0.82 TDP1 (0.40) POLBSMN1; SMN2MAPTPDE3ASLC22A6
SCHEMBL10490774 0.82 YARS1 (0.42) POLBSMN1; SMN2MAPTPDE3ASLC22A6
Water SCHEMBL10490800 0.81 YARS1 (0.42) POLBSMN1; SMN2MAPTPDE3ASLC22A6
SCHEMBL10404206 0.81 MAPT (0.36) POLBSMN1; SMN2MAPTPDE3ASLC22A6
SCHEMBL10770220 0.81 MAPT (0.36) POLBSMN1; SMN2MAPTPDE3ASLC22A6
SCHEMBL10546612 0.81 POLB (0.40) POLBSMN1; SMN2MAPTPDE3ASLC22A6

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-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
Send feedback