SCHEMBL27007121

SCHEMBL27007121

O=C1CC(n2cc3cc(Br)ccc3n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
BACE1 P56817 1/20 0.33
HTT P42858 1/20 0.33
CASP3 P42574 1/20 0.32
SYK P43405 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
CLK1 P49759 1/20 0.31
CHEK1 O14757 1/20 0.30
PIM1 P11309 1/20 0.30
AKT1 P31749 1/20 0.30
FLT3 P36888 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
SCHEMBL25339168 0.86 TLR8 (0.39) TLR8HDAC8MEN1KMT2AATM
SCHEMBL25338343 0.85 TLR8 (0.44) TLR8HDAC8MEN1KMT2AATM
SCHEMBL11890643 0.84 TLR8 (0.44) TLR8HDAC8NPC1RAB9AMAPT
SCHEMBL29083592 0.81 TLR8 (0.37) TLR8HDAC8MEN1KMT2AATM
SCHEMBL21810482 0.80 TLR8 (0.36) TLR8HDAC8NPC1RAB9AMAPT
SCHEMBL27006138 0.79 HDAC8 (0.36) TLR8HDAC8MEN1KMT2AATM
SCHEMBL20135108 0.78 TLR8 (0.57) TLR8HTT
SCHEMBL25339190 0.78 TLR8 (0.40) TLR8HDAC8MEN1KMT2AATM
SCHEMBL30122249 0.78 IRAK4 (0.41) TLR8MAPTALDH1A1HTTCLK1
Hydrochloric Acid SCHEMBL30508248 0.77 TLR8 (0.56) TLR8HTT

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-4306520-A1 THIOPHENE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-01-17 EP disclosed