SCHEMBL22019589

SCHEMBL22019589

CCC[C@@H]1C[C@@H](O)CCN1c1ncc(C(=O)c2cccc(S(C)(=O)=O)c2)s1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 8/20 0.36
MLYCD O95822 1/20 0.34
DRD2 P14416 2/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
SSTR5 P35346 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD3 P35462 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 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
SCHEMBL22019137 0.88 VNN1 (0.37) VNN1MLYCDDRD2LOXL2SIGMAR1
SCHEMBL21962810 0.81 VNN1 (0.39) VNN1MLYCDDRD2LOXL2LMNA
SCHEMBL22020078 0.81 VNN1 (0.39) VNN1MLYCDDRD2LOXL2LMNA
SCHEMBL21962749 0.81 VNN1 (0.38) VNN1MLYCDLOXL2RAF1BRAF
SCHEMBL21962640 0.81 VNN1 (0.38) VNN1MLYCDLOXL2RAF1BRAF
SCHEMBL22020542 0.81 VNN1 (0.38) VNN1MLYCDLOXL2RAF1BRAF
SCHEMBL22019142 0.80 VNN1 (0.38) VNN1MLYCDLOXL2LMNA
SCHEMBL21962621 0.80 VNN1 (0.38) VNN1MLYCDLOXL2LMNA
SCHEMBL21962565 0.80 RAF1 (0.42) VNN1MLYCDLOXL2RAF1BRAF
SCHEMBL22020520 0.80 RAF1 (0.42) VNN1MLYCDLOXL2RAF1BRAF

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