SCHEMBL6253940

SCHEMBL6253940

O=C(O)N[C@H]1C(=O)NCCSC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 10/20 0.47
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL5265939 0.76 MAP2K1 (0.40) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL3346582 0.76 MAP2K1 (0.38) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL3344917 0.75 PSEN1 (0.47) MAP2K1
SCHEMBL3342525 0.74 BACE1 (0.37) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL3346942 0.74 PSEN1 (0.40) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL6239170 0.74 MAP2K1 (0.43) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL14260844 0.74 MAP2K1 (0.43) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL6239173 0.74 MAP2K1 (0.43) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL4927692 0.74 MAP2K1 (0.43) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL14260861 0.74 MAP2K1 (0.43) MAP2K1HSD17B10TDP1ALDH1A1HTT

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-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO disclosed