SCHEMBL8399140

SCHEMBL8399140

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
FDFT1 P37268 1/20 0.44
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
BCL2A1 Q16548 1/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8398292 0.89 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HTTRAB9AKMT2A
SCHEMBL8400306 0.86 KMT2A (0.43) SMN1; SMN2ALDH1A1HTTRAB9AKMT2A
SCHEMBL8399265 0.86 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HTTRAB9AKMT2A
SCHEMBL8399042 0.85 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HTTRAB9AKMT2A
SCHEMBL8398029 0.85 LTB4R2 (0.42) SMN1; SMN2KMT2AMEN1FDFT1NPC1
SCHEMBL8400465 0.85 MTNR1A (0.52) RAB9AKMT2ANPC1
SCHEMBL8395962 0.85 MDM2 (0.43) SMN1; SMN2ALDH1A1HTTKMT2AFDFT1
SCHEMBL8400558 0.84 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL8400188 0.84 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HTTRAB9AKMT2A
SCHEMBL8399283 0.84 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HTTRAB9AKMT2A

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