SCHEMBL21795659

SCHEMBL21795659

NC(=O)O[C@H]1CCOC[C@@H]1COc1ccc(-c2ncc(Cl)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
XDH P47989 3/20 0.36
PARP15 Q460N3 4/20 0.35
PARP10 Q53GL7 4/20 0.35
PARP2 Q9UGN5 2/20 0.35
MAPT P10636 1/20 0.34
ATF4 P18848 1/20 0.34
FFAR4 Q5NUL3 4/20 0.33
GPR119 Q8TDV5 1/20 0.33
MAPK1 P28482 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
SCHEMBL21795648 0.88 XDH (0.39) XDHATF4FFAR4GPR119
SCHEMBL21795636 0.88 XDH (0.39) XDHATF4FFAR4GPR119
SCHEMBL21795640 0.81 PARP15 (0.42) SMN1; SMN2PARP15PARP10PARP2MAPT
SCHEMBL21795663 0.80 XDH (0.39) NPC1XDHFFAR4GPR119
SCHEMBL15420805 0.80 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HSD17B10XDH
SCHEMBL21795638 0.79 KDM4E (0.42) XDHPARP2GPR119
Hydrochloric Acid SCHEMBL12987993 0.78 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HSD17B10XDH
SCHEMBL21795670 0.78 KCNH2 (0.35) PARP15PARP10FFAR4GPR119
SCHEMBL21795667 0.76 FFAR4 (0.37) FFAR4MAPK1
SCHEMBL21795642 0.75 GCG (0.34) PARP2FFAR4

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
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed