SCHEMBL29664441

SCHEMBL29664441

CCOC(=O)c1ncc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
JMJD6 Q6NYC1 1/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
AGBL2 Q5U5Z8 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR9 Q9NR96 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4018903 1.00 THRB (0.43) THRBJMJD6NPC1LMNARAB9A
SCHEMBL20399682 0.87 JMJD6 (0.43) JMJD6NPC1LMNARAB9ACYP2C9
SCHEMBL30697102 0.87 JMJD6 (0.43) JMJD6NPC1LMNARAB9ACYP2C9
SCHEMBL15968597 0.85 CA12 (0.46) JMJD6NPC1LMNARAB9ACYP2C9
SCHEMBL18394836 0.84 NPC1 (0.49) NPC1LMNARAB9AAGBL2CYP2C9
SCHEMBL17362538 0.84 TARBP2 (0.42) JMJD6NPC1RAB9ACYP2C9CYP2C19
SCHEMBL7684716 0.84 S1PR1 (0.49) JMJD6NPC1LMNARAB9ACYP2C9
SCHEMBL25780807 0.83 GABRA1 (0.43) JMJD6NPC1LMNARAB9AAGBL2
SCHEMBL29050073 0.81 KDM4E (0.41) THRBNPC1LMNARAB9AAGBL2
SCHEMBL30405953 0.81 KDM4E (0.41) THRBNPC1LMNARAB9AAGBL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119454711-A Methods, compositions and crystalline forms of substituted pyridone-pyridinyl compounds 阿克拉瑞斯治疗股份有限公司 2025-02-18 CN disclosed
CN-119053588-A P38 alpha-MK 2 inhibitor compound, pharmaceutical composition and application thereof 长春金赛药业有限责任公司 2024-11-29 CN disclosed
CN-115484952-B Methods, compositions and crystalline forms of substituted pyridone-pyridinyl compounds 阿克拉瑞斯治疗股份有限公司 2024-10-18 CN disclosed
CN-116685322-A Method for synthesizing substituted pyridone-pyridyl compounds 阿克拉瑞斯治疗股份有限公司 2023-09-01 CN disclosed
CN-115484952-A Methods, compositions, and crystalline forms of substituted pyridone-pyridyl compounds 阿克拉瑞斯治疗股份有限公司 2022-12-16 CN disclosed
CN-108200760-B Benzodiazepine derivatives as RSV inhibitors 英安塔制药有限公司 2022-04-01 CN disclosed