SCHEMBL22019142

SCHEMBL22019142

CS(=O)(=O)c1cccc(C(=O)c2cnc(N3CCCCC3CO)s2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 8/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MLYCD O95822 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
CNR2 P34972 1/20 0.35
AOC3 Q16853 2/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL21962621 1.00 VNN1 (0.38) VNN1HTTLMNATSHRSMN1; SMN2
SCHEMBL21962810 0.97 VNN1 (0.39) VNN1HTTLMNATSHRSMN1; SMN2
SCHEMBL22020078 0.97 VNN1 (0.39) VNN1HTTLMNATSHRSMN1; SMN2
SCHEMBL22019137 0.91 VNN1 (0.37) VNN1HTTLMNATSHRSMN1; SMN2
SCHEMBL22019323 0.85 VNN1 (0.39) VNN1HTTLMNATSHRSMN1; SMN2
SCHEMBL21962563 0.85 VNN1 (0.39) VNN1HTTLMNATSHRSMN1; SMN2
SCHEMBL22019317 0.84 CPT2 (0.39) HTTLMNATSHRSMN1; SMN2MLYCD
SCHEMBL21962690 0.84 CPT2 (0.39) HTTLMNATSHRSMN1; SMN2MLYCD
SCHEMBL21962778 0.82 MLYCD (0.48) VNN1HTTLMNATSHRSMN1; SMN2
SCHEMBL21962816 0.81 MLYCD (0.48) VNN1HTTLMNATSHRSMN1; SMN2

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