SCHEMBL29527271

SCHEMBL29527271

COc1ncc(Br)cc1N1CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
PIP4K2A P48426 1/20 0.37
LRRK2 Q5S007 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MAP4K1 Q92918 1/20 0.33
LMNA P02545 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL29066236 1.00 HSD17B10 (0.44) HSD17B10NPC1CYP11B1CYP11B2MEN1
SCHEMBL46303 0.84 HSD17B10 (0.46) HSD17B10NPC1CYP11B1CYP11B2MEN1
SCHEMBL29066214 0.83 HSD17B10 (0.41) HSD17B10NPC1CYP11B1CYP11B2TSHR
SCHEMBL29527139 0.83 HSD17B10 (0.41) HSD17B10NPC1CYP11B1CYP11B2TSHR
SCHEMBL16914120 0.80 HSD17B10 (0.49) HSD17B10NPC1CYP11B2MEN1TSHR
SCHEMBL29066185 0.74 KDM4E (0.40) HSD17B10NPC1MEN1TSHRKMT2A
SCHEMBL29527699 0.74 FFAR1 (0.40) HSD17B10CYP11B1CYP11B2PIP4K2ATP53
SCHEMBL29526566 0.74 HSD17B10 (0.34) HSD17B10NPC1CYP11B1CYP11B2PIP4K2A
SCHEMBL29066188 0.74 FFAR1 (0.40) HSD17B10CYP11B1CYP11B2PIP4K2ATP53
SCHEMBL17578977 0.71 MET (0.49) HSD17B10NPC1TSHRPIP4K2ASMN1; SMN2

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-4240730-A1 2-PYRIDONES AS THYROID HORMONE RECEPTOR MODULATORS Aligos Therapeutics, Inc. (US) 2023-09-13 EP disclosed
CN-116710443-A 2-pyridones as thyroid hormone receptor modulators 阿利戈斯治疗公司 2023-09-05 CN disclosed
WO-2022099044-A1 2-PYRIDONES AS THYROID HORMONE RECEPTOR MODULATORS ALIGOS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed