SCHEMBL1807729

SCHEMBL1807729

COC(=S)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ GAA P10253 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HKDC1 Q2TB90 1/20 0.53

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
SCHEMBL7358861 0.85 LMNA (0.60) ALDH1A1GAALMNAKDM4EUSP2
SCHEMBL11146076 0.81 LMNA (0.64) ALDH1A1GAALMNAKDM4EPOLB
SCHEMBL9587814 0.79 ALDH1A1 (0.65) ALDH1A1GAALMNAKDM4EUSP2
SCHEMBL1422386 0.79 GAA (0.74) ALDH1A1GAALMNAPOLBSMN1; SMN2
SCHEMBL7893624 0.78 LMNA (0.57) ALDH1A1GAALMNAKDM4EUSP2
SCHEMBL17114436 0.78 MAPK1 (0.65) ALDH1A1GAALMNAUSP2SMN1; SMN2
SCHEMBL6594783 0.78 LMNA (0.64) ALDH1A1GAALMNAPOLBSMN1; SMN2
SCHEMBL1807728 0.77 LMNA (0.60) ALDH1A1GAALMNAHSD17B10POLB
SCHEMBL7904262 0.77 ALDH1A1 (0.70) ALDH1A1GAALMNAKDM4EUSP2
SCHEMBL15840665 0.77 SMN1; SMN2 (0.69) ALDH1A1GAALMNAUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 — — EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 — — EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 — — US disclosed
Send feedback