SCHEMBL8399091

SCHEMBL8399091

CCCOC(=O)CCC(=O)N(CC#N)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 5/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 1/20 0.33
USP2 O75604 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL8395828 0.91 SMN1; SMN2 (0.53) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL8395843 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MAPTLMNATDP1KMT2A
SCHEMBL8399169 0.88 SMN1; SMN2 (0.44) SMN1; SMN2MAPTLMNATDP1KMT2A
SCHEMBL8400187 0.88 SMN1; SMN2 (0.44) SMN1; SMN2MAPTLMNATDP1KMT2A
SCHEMBL8400489 0.88 MAPK1 (0.44) SMN1; SMN2MAPTLMNAALDH1A1TP53
SCHEMBL8396409 0.88 SMN1; SMN2 (0.59) SMN1; SMN2LMNATDP1KMT2AMEN1
SCHEMBL8395804 0.87 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL8396079 0.87 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNAALDH1A1POLB
SCHEMBL8400205 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL8400488 0.86 SMN1; SMN2 (0.42) SMN1; SMN2MAPTLMNATDP1KMT2A

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