SCHEMBL29161306

SCHEMBL29161306

COCCOc1nc(Br)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
TLR7 Q9NYK1 2/20 0.35
TLR8 Q9NR97 1/20 0.35
GRM4 Q14833 1/20 0.34
USP8 P40818 1/20 0.33
S1PR4 O95977 1/20 0.33
FFAR2 O15552 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTR7 P34969 1/20 0.32
KDM1A O60341 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL15716080 0.81 TSHR (0.47) TSHRTLR7TLR8GRM4USP8
SCHEMBL16931148 0.81 TSHR (0.44) TSHRTLR7TLR8GRM4USP8
SCHEMBL7016888 0.80 HPGD (0.42) TSHRTLR8TDP1ALDH1A1LMNA
SCHEMBL25029141 0.79 TSHR (0.42) TSHRTLR7TLR8GRM4USP8
SCHEMBL29364456 0.79 TSHR (0.42) TSHRTLR7TLR8GRM4USP8
SCHEMBL29115209 0.79 TSHR (0.42) TSHRTLR7TLR8GRM4USP8
SCHEMBL156162 0.77 IDO1 (0.36) TSHRTDP1ALDH1A1
SCHEMBL29948393 0.77 IDO1 (0.36) TSHRTDP1ALDH1A1
SCHEMBL3146276 0.77 PIK3CA (0.40) TSHRTLR7TLR8PIK3CDPIK3CA
SCHEMBL15716606 0.76 TRPV1 (0.40) TSHRTLR7TLR8GRM4FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334301-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS University College Cardiff Consultants Limited (GB) 2024-03-13 EP disclosed
CN-117279908-A Heteroaryl compounds for the treatment of cognitive disorders 加的夫大学学院咨询有限公司 2023-12-22 CN disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed