SCHEMBL8399042

SCHEMBL8399042

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
POLQ O75417 1/20 0.35
FDFT1 P37268 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 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
SCHEMBL8395141 0.89 SMN1; SMN2 (0.52) SMN1; SMN2MTNR1AMTNR1BHPGDALDH1A1
SCHEMBL8400306 0.86 KMT2A (0.43) SMN1; SMN2ALDH1A1POLQMEN1KMT2A
SCHEMBL8400205 0.86 SMN1; SMN2 (0.43) SMN1; SMN2HPGDALDH1A1POLQMEN1
SCHEMBL8399140 0.85 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1FDFT1MEN1KMT2A
SCHEMBL8400465 0.85 MTNR1A (0.52) MTNR1AMTNR1BKMT2ARAB9A
SCHEMBL8398029 0.85 LTB4R2 (0.42) SMN1; SMN2POLQFDFT1MEN1KMT2A
SCHEMBL8399249 0.85 HPGD (0.47) SMN1; SMN2HPGDALDH1A1MAPK1MEN1
SCHEMBL8400558 0.84 SMN1; SMN2 (0.54) SMN1; SMN2HPGDALDH1A1POLQFDFT1
SCHEMBL8400188 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MTNR1AMTNR1BHPGDALDH1A1
SCHEMBL8399315 0.83 SMN1; SMN2 (0.37) SMN1; SMN2MTNR1AMTNR1BPOLQFDFT1

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