SCHEMBL21795643

SCHEMBL21795643

Cc1ccn(-c2ccc(OC[C@H]3COCC[C@@H]3OC(N)=O)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
KAT7 O95251 1/20 0.36
KAT5 Q92993 1/20 0.36
OXTR P30559 3/20 0.35
AVPR1A P37288 3/20 0.35
AVPR2 P30518 2/20 0.35
SYK P43405 1/20 0.34
TP53 P04637 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HDAC4 P56524 1/20 0.33
ACACB O00763 2/20 0.33
HTT P42858 1/20 0.33
F10 P00742 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
F5 P12259 1/20 0.31
BRSK2 Q8IWQ3 1/20 0.31
HCRTR1 O43613 1/20 0.31

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
SCHEMBL21795642 0.84 GCG (0.34) FFAR4HDAC4ACACB
SCHEMBL15420757 0.82 DDB1 (0.41) DDB1CRBNKAT7KAT5OXTR
SCHEMBL21795640 0.78 PARP15 (0.42) LMNA
SCHEMBL15441678 0.76 KAT7 (0.39) DDB1CRBNKAT7KAT5OXTR
SCHEMBL15420022 0.76 KAT7 (0.39) DDB1CRBNKAT7KAT5OXTR
SCHEMBL21795658 0.74 HDAC1 (0.39) FFAR4HTTNPC1RAB9A
SCHEMBL21795659 0.73 NPC1 (0.39) FFAR4NPC1RAB9A
SCHEMBL21795663 0.72 XDH (0.39) FFAR4NPC1GRM5
SCHEMBL21795648 0.72 XDH (0.39) FFAR4
SCHEMBL21795636 0.72 XDH (0.39) FFAR4

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