SCHEMBL27006138

SCHEMBL27006138

OC1CC(n2cc3cc(Br)ccc3n2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.36
TLR8 Q9NR97 1/20 0.36
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
BACE1 P56817 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
CLK1 P49759 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NPM1 P06748 1/20 0.30
ALK Q9UM73 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
SCHEMBL25339190 0.87 TLR8 (0.40) HDAC8TLR8NPC1RAB9AALDH1A1
SCHEMBL29709725 0.84 HDAC8 (0.36) HDAC8TLR8NPC1RAB9AALDH1A1
SCHEMBL24508511 0.84 HDAC8 (0.36) HDAC8TLR8NPC1RAB9AALDH1A1
SCHEMBL11890643 0.84 TLR8 (0.44) HDAC8TLR8NPC1RAB9AALDH1A1
SCHEMBL27004838 0.82 TLR8 (0.38) TLR8NPC1RAB9AALDH1A1MAPT
SCHEMBL29083592 0.81 TLR8 (0.37) HDAC8TLR8NPC1RAB9AALDH1A1
SCHEMBL27006292 0.81 TLR8 (0.36) HDAC8TLR8NPC1RAB9AALDH1A1
SCHEMBL21810482 0.80 TLR8 (0.36) HDAC8TLR8NPC1RAB9AALDH1A1
SCHEMBL27007121 0.79 TLR8 (0.41) HDAC8TLR8NPC1RAB9AALDH1A1
SCHEMBL27007126 0.78 TLR8 (0.36) HDAC8TLR8NPC1RAB9AALDH1A1

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