SCHEMBL9547084

SCHEMBL9547084

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.38
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
ZDHHC20 Q5W0Z9 3/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31
MCL1 Q07820 1/20 0.31
CYP3A4 P08684 1/20 0.30
ELANE P08246 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
SCHEMBL9547259 0.85 MAPT (0.36) MAPTCACNA1BAPBA1
SCHEMBL9547291 0.81 ZDHHC20 (0.40) DPP4MAPTZDHHC20ZDHHC2TSHR
SCHEMBL9547290 0.80 MAPT (0.39) MAPTCACNA1BAPBA1TSHRCYP3A4
SCHEMBL9547277 0.79 ZDHHC20 (0.38) DPP4MAPTCACNA1BAPBA1ZDHHC20
SCHEMBL9547288 0.76 ZDHHC20 (0.39) DPP4MAPTCACNA1BAPBA1ZDHHC20
SCHEMBL21445851 0.73 DPP4 (0.39) DPP4MAPTCACNA1BAPBA1ZDHHC20
SCHEMBL9547244 0.73 MAPT (0.41) MAPTCACNA1BAPBA1TSHRCYP3A4
SCHEMBL9482612 0.72 CYP3A4 (0.39) MAPTCACNA1BAPBA1TSHRCYP3A4
SCHEMBL9547251 0.71 MAPT (0.40) MAPTCACNA1BAPBA1TSHRCYP3A4
Hydrochloric Acid SCHEMBL9547367 0.71 MAPT (0.32) MAPTCACNA1BAPBA1TSHR

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