SCHEMBL9547259

SCHEMBL9547259

C=CCOC(=O)N(CCC#N)CC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CASP1 P29466 1/20 0.30

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
SCHEMBL9547084 0.85 DPP4 (0.38) MAPTCACNA1BAPBA1
SCHEMBL9547290 0.78 MAPT (0.39) MAPTCACNA1BAPBA1ALDH1A1
SCHEMBL8769211 0.75 CASP1 (0.45) MAPTCACNA1BAPBA1ALDH1A1CASP1
SCHEMBL9547229 0.72 POLB (0.46) ALDH1A1
Hydrochloric Acid SCHEMBL9547154 0.71 TSHR (0.33) MAPTCACNA1BAPBA1
SCHEMBL9547277 0.71 ZDHHC20 (0.38) MAPTCACNA1BAPBA1
SCHEMBL9547244 0.71 MAPT (0.41) MAPTCACNA1BAPBA1ALDH1A1
SCHEMBL9482612 0.69 CYP3A4 (0.39) MAPTCACNA1BAPBA1ALDH1A1
SCHEMBL9547251 0.69 MAPT (0.40) MAPTCACNA1BAPBA1ALDH1A1
Hydrochloric Acid SCHEMBL9547367 0.69 MAPT (0.32) MAPTCACNA1BAPBA1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed