SCHEMBL8395446

SCHEMBL8395446

CCCCOc1ccc(N(CC#N)C(=O)CCC(=O)OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 1/20 0.44
LTA4H P09960 6/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39

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
SCHEMBL8395804 0.95 SMN1; SMN2 (0.43) SMN1; SMN2MAPTL3MBTL1MAPK1MEN1
SCHEMBL8397897 0.95 SMN1; SMN2 (0.49) SMN1; SMN2MAPTLTA4HALDH1A1L3MBTL1
SCHEMBL8400489 0.92 MAPK1 (0.44) SMN1; SMN2MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL8396482 0.91 HTT (0.42) SMN1; SMN2MAPTLTA4HALDH1A1MEN1
SCHEMBL8396419 0.86 SMN1; SMN2 (0.52) SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL8398027 0.86 HTT (0.42) SMN1; SMN2MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL8397881 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL8396079 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL8395843 0.85 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1MEN1LMNA
SCHEMBL8397040 0.85 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1MEN1LMNA

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