SCHEMBL4730693

SCHEMBL4730693

Nc1csc2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
MAPT P10636 8/20 0.44
TP53 P04637 4/20 0.42
LMNA P02545 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.40
AXL P30530 1/20 0.36
GFER P55789 1/20 0.36
MPI P34949 3/20 0.36
PMM2 O15305 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
G6PD P11413 1/20 0.36
KEAP1 Q14145 1/20 0.34
CYP2A6 P11509 2/20 0.34
PHOSPHO1 Q8TCT1 1/20 0.34
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL10896286 0.85 MAPT (0.54) CA2MAPTTP53LMNAMTNR1A
SCHEMBL7342130 0.83 MAPT (0.44) CA2MAPTTP53LMNAMTNR1A
SCHEMBL31158949 0.83 MAPT (0.44) CA2MAPTTP53LMNAMTNR1A
SCHEMBL413347 0.77 MAPT (0.45) CA2MAPTTP53LMNAMTNR1A
SCHEMBL2095397 0.75 MAPT (0.44) CA2MAPTTP53LMNAMTNR1A
SCHEMBL8147097 0.75 CA2 (0.47) CA2MAPTTP53LMNAALDH1A1
SCHEMBL18379175 0.75 CYP2A6 (0.60) CA2MAPTTP53LMNAALDH1A1
SCHEMBL21954333 0.75 CYP2A6 (0.59) CA2MAPTTP53ALDH1A1CYP2A6
SCHEMBL4877866 0.75 CYP2A6 (0.60) CA2MAPTTP53LMNAMTNR1A
SCHEMBL545092 0.75 CYP2A6 (0.60) CA2MAPTTP53LMNAMTNR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024201248-A1 COMPOUNDS AND METHODS FOR DEGRADING GSPT1 PIN THERAPEUTICS, INC. (KR) 2024-10-03 WO disclosed
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed