SCHEMBL7956785

SCHEMBL7956785

COC(=O)c1csc2ccc(OC)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.51
MTNR1B P49286 4/20 0.51
CHEK1 O14757 1/20 0.49
MET P08581 1/20 0.49
GSK3B P49841 1/20 0.49
LIMK1 P53667 1/20 0.49
DYRK1A Q13627 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
NR4A2 P43354 1/20 0.49
L3MBTL1 Q9Y468 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL11260725 0.87 KDM4E (0.50) MTNR1AMTNR1BL3MBTL1TDP1KDM4E
SCHEMBL7943979 0.87 ALDH1A1 (0.50) MTNR1AMTNR1BL3MBTL1TDP1KDM4E
SCHEMBL2811677 0.81 KDM4E (0.49) MTNR1AMTNR1BCHEK1METGSK3B
SCHEMBL6130765 0.79 MTNR1A (0.52) MTNR1AMTNR1BL3MBTL1TDP1KDM4E
SCHEMBL8555827 0.79 MTNR1A (0.56) MTNR1AMTNR1BDYRK1ANR4A2L3MBTL1
SCHEMBL10964341 0.76 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1TDP1KDM4E
SCHEMBL9220938 0.75 MTNR1A (0.49) MTNR1AMTNR1BCHEK1METGSK3B
SCHEMBL22809961 0.75 L3MBTL1 (0.59) MTNR1ANR4A2L3MBTL1TDP1KDM4E
SCHEMBL9209256 0.74 MTNR1A (0.48) MTNR1AMTNR1BDYRK1ADYRK1BL3MBTL1
SCHEMBL9220714 0.73 MTNR1A (0.47) MTNR1AMTNR1BNR4A2L3MBTL1TDP1

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-6218427-B1 AS ENDOTHELIN RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. (JP) 2001-04-17 US disclosed
EP-0924207-A1 CHROMENE-3-CARBOXYLATE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-06-23 EP disclosed