SCHEMBL8400320

SCHEMBL8400320

COC(=O)CCC(=O)N(CC#N)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8400330 0.89 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HSD17B10NPSR1MAPT
SCHEMBL8399249 0.88 HPGD (0.47) SMN1; SMN2ALDH1A1HSD17B10NPSR1MAPT
SCHEMBL8395962 0.88 MDM2 (0.43) SMN1; SMN2ALDH1A1HSD17B10MAPTLMNA
SCHEMBL8399081 0.88 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1HSD17B10NPSR1MAPT
SCHEMBL8399145 0.88 ATM (0.41) SMN1; SMN2ALDH1A1HSD17B10NPSR1MAPT
SCHEMBL8400558 0.87 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HSD17B10MAPTLMNA
SCHEMBL8400240 0.85 MLYCD (0.40) SMN1; SMN2ALDH1A1HSD17B10MAPTLMNA
SCHEMBL8395457 0.85 MAPT (0.39) SMN1; SMN2ALDH1A1HSD17B10MAPTLMNA
SCHEMBL8399007 0.85 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1HSD17B10NPSR1MAPT
SCHEMBL8395843 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HSD17B10NPSR1MAPT

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