SCHEMBL29580985

SCHEMBL29580985

Nc1ccc2c(c1)COC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 1.00
MAPT P10636 4/20 1.00
GAA P10253 1/20 1.00
PRF1 P14222 8/20 0.62
MAOA P21397 3/20 0.55
MAOB P27338 3/20 0.55
RECQL P46063 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL2017652 1.00 LMNA (1.00) LMNAMAPTGAAPRF1MAOA
SCHEMBL26779022 0.89 LMNA (0.80) LMNAMAPTGAAPRF1MAOA
SCHEMBL16836192 0.87 MAPT (0.76) LMNAMAPTGAAPRF1MAOA
SCHEMBL655727 0.84 LMNA (0.72) LMNAMAPTGAAPRF1MAOA
SCHEMBL30513606 0.84 LMNA (0.72) LMNAMAPTGAAPRF1MAOA
SCHEMBL19678702 0.84 LMNA (0.72) LMNAMAPTGAAPRF1MAOA
SCHEMBL26779021 0.84 MAPT (0.71) LMNAMAPTGAAPRF1MAOA
SCHEMBL6585715 0.81 LMNA (0.68) LMNAMAPTGAAPRF1MAOA
SCHEMBL30753590 0.81 LMNA (0.68) LMNAMAPTGAAPRF1MAOA
SCHEMBL26779018 0.80 MAPT (0.65) LMNAMAPTGAAPRF1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119816491-A New spirocyclohexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2025-04-11 CN disclosed
CN-116348109-B Piperazine derivative, and preparation method and application thereof 浙江海正药业股份有限公司 2025-01-21 CN disclosed
CN-119306730-A Cyclic ether modified 3-cyano-4-arylaminoquinoline derivative as well as preparation method and application thereof 河北医科大学 2025-01-14 CN disclosed
CN-114751899-B Diaryl urea mTOR kinase inhibitor, and pharmaceutical composition and application thereof 贵州医科大学 2024-03-29 CN disclosed
CN-111527084-B Isofuranone compounds useful as HPK1 inhibitors 百时美施贵宝公司 2023-07-18 CN disclosed
CN-116348109-A Piperazine derivative, and preparation method and application thereof 浙江海正药业股份有限公司 2023-06-27 CN disclosed
CN-110225753-B Process for preparing 5-phenoxy-1 (3H) isobenzofuranones 金凯(辽宁)生命科技股份有限公司 2022-12-09 CN disclosed
CN-114751899-A Diaryl urea mTOR kinase inhibitor and pharmaceutical composition and application thereof 贵州医科大学 2022-07-15 CN disclosed
CN-113045559-B Diaryl urea PI3K alpha/mTOR double-target inhibitor and pharmaceutical composition and application thereof 贵州医科大学 2022-05-20 CN disclosed
CN-114315805-A Aromatic ring-fused cyclic lactone thiohydantoin compound and preparation method and application thereof 中国科学院上海药物研究所 2022-04-12 CN disclosed