SCHEMBL9547232

SCHEMBL9547232

C=CCOC(=O)NCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.36
CASP1 P29466 8/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ERN1 O75460 1/20 0.33
LMNA P02545 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2A1 P68400 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Acetonitrile SCHEMBL9547088 0.90 MAPT (0.39) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL4680857 0.82 CASP1 (0.45) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL248893 0.81
SCHEMBL19672930 0.80 MEN1 (0.38) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL20793437 0.80 MEN1 (0.38) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL9129459 0.80 MEN1 (0.38) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL4684975 0.80 MEN1 (0.41) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL2343808 0.80 MEN1 (0.38) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL10790638 0.80 MEN1 (0.38) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL13055388 0.79 MAPT (0.42) MAPTCACNA1BAPBA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1084173-A 1-azabicyclo [3,2,0] hept-2-ene\"-2-carboxylic acid derivative and preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1994-03-23 CN disclosed
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed