SCHEMBL8395141

SCHEMBL8395141

CCOC(=O)CCC(=O)N(CC#N)c1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
EGFR P00533 1/20 0.42
ERBB3 P21860 1/20 0.42
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
POLQ O75417 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL8400205 0.92 SMN1; SMN2 (0.43) SMN1; SMN2EGFRERBB3POLQMEN1
SCHEMBL8399042 0.89 SMN1; SMN2 (0.39) SMN1; SMN2POLQMEN1KMT2AALDH1A1
SCHEMBL8396593 0.88 SMN1; SMN2 (0.54) SMN1; SMN2CYP4F2CYP4A11POLQMEN1
SCHEMBL8398292 0.86 SMN1; SMN2 (0.52) SMN1; SMN2EGFRKMT2AALDH1A1MAPK1
SCHEMBL8399240 0.86 SMN1; SMN2 (0.52) SMN1; SMN2CYP4F2CYP4A11POLQMEN1
SCHEMBL8398241 0.86 SMN1; SMN2 (0.52) SMN1; SMN2CYP4F2CYP4A11POLQL3MBTL1
SCHEMBL8395828 0.85 SMN1; SMN2 (0.53) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
SCHEMBL8398077 0.85 SMN1; SMN2 (0.72) SMN1; SMN2CYP4F2CYP4A11POLQMEN1
SCHEMBL8400239 0.85 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL8399194 0.85 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1HPGD

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