SCHEMBL26601331

SCHEMBL26601331

NC(=O)OCCCCC(N)c1nc2cnc3ccccc3c2s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
LTB4R Q15722 1/20 0.34
TP53 P04637 1/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
NPSR1 Q6W5P4 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL26601327 1.00 LMNA (0.34) LMNALTB4RTP53TLR8TLR7
SCHEMBL26601306 0.78 NPC1 (0.36) SMN1; SMN2HDAC3HDAC1
SCHEMBL26601302 0.78 NPC1 (0.36) SMN1; SMN2HDAC3HDAC1
SCHEMBL26601318 0.74 HDAC3 (0.44) LMNASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL10324410 0.70 LMNA (0.54) LMNANPSR1CYP1A2CYP2D6PKM
SCHEMBL28465580 0.69 LMNA (0.45) LMNANPSR1CYP1A2CYP2D6PKM
SCHEMBL2806858 0.68 TP53 (0.39) TP53TLR8TLR7NPSR1PKM
SCHEMBL1528340 0.67 TLR8 (0.56) TP53TLR8TLR7
SCHEMBL30539927 0.67 TLR8 (0.43) LMNATLR8TLR7NPSR1CYP1A2
SCHEMBL10324369 0.66 LMNA (0.56) LMNANPSR1CYP1A2CYP2D6PKM

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-2023205219-A1 PROTEOLYSIS TARGETING CHIMERA (PROTAC) COMPOSITIONS USING UBIQUITIN CONJUGATING ENZYME LIGANDS BERG LLC (US) 2023-10-26 WO disclosed