SCHEMBL8399716

SCHEMBL8399716

CCOC(=O)CCC(=O)N(Cc1nc2c(Cl)c(Cl)ccc2s1)c1sccc1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
AKR1B1 P15121 1/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
CFTR P13569 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8398035 0.92 SMN1; SMN2 (0.34) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8396294 0.90 AKR1B1 (0.38) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8395389 0.87 SMN1; SMN2 (0.35) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8396265 0.85 SMN1; SMN2 (0.36) SMN1; SMN2AKR1B1KMT2AMEN1MAPT
SCHEMBL8399208 0.84 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8398032 0.84 SMN1; SMN2 (0.44) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8396242 0.84 SMN1; SMN2 (0.52) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8400414 0.84 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8398955 0.83 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8398088 0.83 SMN1; SMN2 (0.34) SMN1; SMN2AKR1B1NPC1KMT2AMEN1

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