SCHEMBL9625616

SCHEMBL9625616

CS(=O)(=O)CCOC(=O)N1CCC=C(C=O)C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 4/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
MDM2 Q00987 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 2/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 2/20 0.31
PKM P14618 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9457289 0.86 CHRM2 (0.35) KMT2AMEN1MAPK1ALDH1A1RAB9A
SCHEMBL9625460 0.84 SMN1; SMN2 (0.39) SMN1; SMN2GAAKMT2AMEN1MAPK1
SCHEMBL9624898 0.82 MAPT (0.44) SMN1; SMN2GAAKMT2AMEN1MAPK1
SCHEMBL9627031 0.82 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL9626334 0.81 POLB (0.34) SMN1; SMN2GAAKMT2AMEN1MAPK1
SCHEMBL9625448 0.76 L3MBTL1 (0.40) SMN1; SMN2KMT2AMEN1MAPK1ALDH1A1
SCHEMBL9626076 0.76 OPRM1 (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1RAB9A
SCHEMBL9625561 0.76 ERN1 (0.43) MAPK1RAB9ANPSR1LMNA
SCHEMBL9625440 0.73 MEN1 (0.56) SMN1; SMN2GAAKMT2AMEN1ALDH1A1
SCHEMBL9626054 0.72 GPR119 (0.35)

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
EP-0308283-B1 1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXALDEHYDE OXIME DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1992-01-22 EP disclosed
EP-0308283-A1 1,2,5,6-Tetrahydropyridine-3-carboxaldehyde oxime derivatives, process for their preparation, their use as pharmaceutical compounds and compositions containing them ROUSSEL-UCLAF (FR) 1989-03-22 EP disclosed