SCHEMBL21795642

SCHEMBL21795642

Cc1nn(-c2ccc(OC[C@H]3COCC[C@@H]3OC(N)=O)cc2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.34
FFAR4 Q5NUL3 3/20 0.34
PDE2A O00408 2/20 0.33
PDE10A Q9Y233 2/20 0.33
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
ACACB O00763 2/20 0.32
PARP1 P09874 7/20 0.31
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
KDR P35968 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
SCHEMBL21795643 0.84 DDB1 (0.38) FFAR4ACACBHDAC4
SCHEMBL15420780 0.83 GCG (0.38) GCGFFAR4PDE2APDE10AAXL
SCHEMBL15420816 0.78 PDE2A (0.34) GCGFFAR4PDE2APDE10AACACB
SCHEMBL21795640 0.76 PARP15 (0.42) PARP2ALDH1A1
SCHEMBL21795659 0.75 NPC1 (0.39) FFAR4PARP2
SCHEMBL21795636 0.74 XDH (0.39) FFAR4DGAT1
SCHEMBL21795648 0.74 XDH (0.39) FFAR4DGAT1
SCHEMBL12989202 0.73 HRH3 (0.36) AXLMERTKACACBDDX3XALDH1A1
SCHEMBL12989204 0.73 HRH3 (0.36) AXLMERTKACACBDDX3XALDH1A1
SCHEMBL21795658 0.72 HDAC1 (0.39) FFAR4HDAC1HDAC6

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