SCHEMBL21962810

SCHEMBL21962810

CS(=O)(=O)c1cccc(C(=O)c2cnc(N3CCC[C@H]3CO)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 8/20 0.39
AOC3 Q16853 2/20 0.37
DPP4 P27487 2/20 0.36
MLYCD O95822 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LOX P28300 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 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
SCHEMBL22020078 1.00 VNN1 (0.39) VNN1AOC3DPP4MLYCDDPP8
SCHEMBL22019142 0.97 VNN1 (0.38) VNN1AOC3DPP4MLYCDDPP8
SCHEMBL21962621 0.97 VNN1 (0.38) VNN1AOC3DPP4MLYCDDPP8
SCHEMBL22019137 0.88 VNN1 (0.37) VNN1MLYCDLOXL2LMNATSHR
SCHEMBL22019323 0.88 VNN1 (0.39) VNN1AOC3MLYCDIRAK4LMNA
SCHEMBL21962563 0.88 VNN1 (0.39) VNN1AOC3MLYCDIRAK4LMNA
SCHEMBL21962682 0.84 NR1H2 (0.39) MLYCD
SCHEMBL22019320 0.84 NR1H2 (0.39) MLYCD
SCHEMBL21962461 0.83 AKR1C3 (0.39) VNN1LMNATSHRHTTSMN1; SMN2
SCHEMBL21962778 0.81 MLYCD (0.48) VNN1MLYCDLMNATSHRHTT

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
WO-2020102575-A1 HETEROCYCLIC AMINOTHIAZOLES AND USES THEREOF INCEPTION IBD, INC. (US) 2020-05-22 WO claimed
WO-2020102575-A1 HETEROCYCLIC AMINOTHIAZOLES AND USES THEREOF INCEPTION IBD, INC. (US) 2020-05-22 WO disclosed