SCHEMBL11589937

SCHEMBL11589937

C=CCNC(=O)Oc1cccc(NC(=S)OC)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ FAAH O00519 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL11870527 0.85 TGM2 (0.50) ALDH1A1MAPK1FAAHCYP3A4MAPT
SCHEMBL11590601 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1FAAHCYP3A4MAPT
SCHEMBL11863218 0.83 MTNR1A (0.49) ALDH1A1MAPK1FAAHCYP3A4MAPT
SCHEMBL11426774 0.83 GAA (0.57) ALDH1A1MAPK1FAAHCYP3A4MAPT
SCHEMBL11863225 0.83 MTNR1A (0.49) ALDH1A1MAPK1FAAHCYP3A4MAPT
SCHEMBL11593786 0.83 ALDH1A1 (0.62) ALDH1A1MAPK1FAAHCYP3A4MAPT
SCHEMBL11882600 0.82 KMT2A (0.45) ALDH1A1MAPK1FAAHCYP3A4MAPT
SCHEMBL11592883 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1FAAHCYP3A4SMN1; SMN2
SCHEMBL11593962 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1FAAHCYP3A4MAPT
SCHEMBL11643540 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1FAAHCYP3A4MAPT

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-4076518-A CABBAGES SCHERING AKTIENGESELLSCHAFT (DT) 1978-02-28 — — US disclosed
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