SCHEMBL8399196

SCHEMBL8399196

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
LTB4R2 Q9NPC1 6/20 0.38
TRPM8 Q7Z2W7 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
MAOB P27338 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
KDM4E B2RXH2 1/20 0.34
AKR1B1 P15121 1/20 0.34
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 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 0.92 SMN1; SMN2 (0.42) SMN1; SMN2LTB4R2ALDH1A1KDM4EAKR1B1
SCHEMBL8400310 0.91 SMN1; SMN2 (0.41) SMN1; SMN2LTB4R2TRPM8ALDH1A1MAOB
SCHEMBL8397106 0.90 SMN1; SMN2 (0.40) SMN1; SMN2LTB4R2ALDH1A1MAOBAKR1B1
SCHEMBL8396319 0.90 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HDAC6KDM4EAKR1B1
SCHEMBL8397981 0.89 SMN1; SMN2 (0.40) SMN1; SMN2LTB4R2TRPM8ALDH1A1HK1
SCHEMBL8396242 0.89 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EAKR1B1MAPTMEN1
SCHEMBL8398046 0.89 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4EMAPTGAA
SCHEMBL8398973 0.89 SMN1; SMN2 (0.39) SMN1; SMN2LTB4R2MAOBAKR1B1
SCHEMBL8396282 0.88 AKR1B1 (0.40) LTB4R2HDAC1HDAC8HDAC6AKR1B1
SCHEMBL8399715 0.88 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HDAC6KDM4EAKR1B1

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