SCHEMBL8399240

SCHEMBL8399240

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
PAX8 Q06710 1/20 0.35
POLQ O75417 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL8395385 0.92 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AMAPK1L3MBTL1
SCHEMBL8398050 0.92 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ACYP4F2CYP4A11
SCHEMBL8400188 0.91 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ATSHRALDH1A1
SCHEMBL8396593 0.88 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2ACYP4F2CYP4A11
SCHEMBL8395141 0.86 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AMAPK1L3MBTL1
SCHEMBL8398292 0.86 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMAPK1ALDH1A1HTT
SCHEMBL8398241 0.86 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CYP4F2CYP4A11NPC1
SCHEMBL8399213 0.85 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL8398077 0.85 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2ATSHRCYP4F2
SCHEMBL8399194 0.85 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AMAPK1L3MBTL1

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