SCHEMBL8400310

SCHEMBL8400310

CCOC(=O)CCC(=O)N(Cc1nc2c(Cl)c(Cl)ccc2s1)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HDAC6 Q9UBN7 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.36
EGFR P00533 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AKR1B1 P15121 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
LMNA P02545 1/20 0.34
DHFR P00374 1/20 0.34
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33

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
SCHEMBL8398045 0.94 SMN1; SMN2 (0.42) SMN1; SMN2LTB4R2MAPTALDH1A1NPC1
SCHEMBL8397106 0.91 SMN1; SMN2 (0.40) SMN1; SMN2LTB4R2MAOBALDH1A1NPC1
SCHEMBL8399196 0.91 SMN1; SMN2 (0.40) SMN1; SMN2HDAC6LTB4R2TRPM8MAOB
SCHEMBL8396319 0.91 SMN1; SMN2 (0.40) SMN1; SMN2HDAC6EGFRMAPTALDH1A1
SCHEMBL8396242 0.91 SMN1; SMN2 (0.52) SMN1; SMN2MAPTNPC1GAAAKR1B1
SCHEMBL8398030 0.91 SMN1; SMN2 (0.38) SMN1; SMN2HDAC6EGFRMAPTALDH1A1
SCHEMBL8398046 0.90 SMN1; SMN2 (0.39) SMN1; SMN2MAPTALDH1A1NPC1GAA
SCHEMBL8398973 0.90 SMN1; SMN2 (0.39) SMN1; SMN2LTB4R2MAOBAKR1B1LMNA
SCHEMBL8399715 0.90 SMN1; SMN2 (0.39) SMN1; SMN2HDAC6MAPTALDH1A1NPC1
SCHEMBL8400414 0.89 SMN1; SMN2 (0.41) SMN1; SMN2TRPM8MAPTNPC1AKR1B1

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-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed