SCHEMBL29503140

SCHEMBL29503140

Cc1ccc(C(N)=O)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.55
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HTT P42858 1/20 0.55
PARP1 P09874 1/20 0.54
LMNA P02545 2/20 0.53
NPC1 O15118 2/20 0.53
MITF O75030 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 5/20 0.50
CHEK2 O96017 1/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 2/20 0.48
LCK P06239 1/20 0.47
F2 P00734 1/20 0.46
MAPK1 P28482 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
SCHEMBL1002832 1.00 PRSS1 (0.61) PRSS1PRSS2PRSS3SMN1; SMN2CES2
SCHEMBL2128609 0.84 PARP1 (0.52) PRSS1PRSS2PRSS3SMN1; SMN2PARP1
SCHEMBL9541786 0.84 PARP1 (0.52) PRSS1PRSS2PRSS3SMN1; SMN2PARP1
SCHEMBL31547637 0.83 BRD4 (0.58) PRSS1PRSS2PRSS3CHEK2
SCHEMBL6825758 0.82 PARP1 (0.50) PRSS1PRSS2PRSS3SMN1; SMN2PARP1
SCHEMBL1805869 0.82 PARP1 (0.50) PRSS1PRSS2PRSS3SMN1; SMN2PARP1
SCHEMBL15708529 0.82 PRSS1 (0.57) PRSS1PRSS2PRSS3SMN1; SMN2CES2
SCHEMBL6632819 0.82 PARP1 (0.50) PRSS1PRSS2PRSS3SMN1; SMN2PARP1
SCHEMBL171027 0.82 LCK (0.53) PRSS1PRSS2PRSS3SMN1; SMN2HTT
SCHEMBL1806409 0.82 PARP1 (0.50) PRSS1PRSS2PRSS3SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504475-A N-alkylamine compound, preparation method and application 南阳师范学院 2025-02-25 CN claimed
CN-117858696-A Antibiotic pharmaceutical composition capable of subcutaneous administration 上海宝济药业股份有限公司 2024-04-09 CN claimed
CN-117603219-A P-glycoprotein inhibitor and preparation method and application thereof 浙江大学 2024-02-27 CN claimed
CN-119504475-A N-alkylamine compound, preparation method and application 南阳师范学院 2025-02-25 CN disclosed
CN-118598809-A Tetrahydroisoquinoline derivative containing azo fragment, and preparation method and medical application thereof 徐州医科大学 2024-09-06 CN disclosed
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
CN-117603219-A P-glycoprotein inhibitor and preparation method and application thereof 浙江大学 2024-02-27 CN disclosed
CN-116508784-B Application of palmitic acid in improving pseudomonas stutzeri in promoting plant growth and reducing nitrous oxide emission of farmland soil 南京工业大学 2024-01-19 CN disclosed
CN-116785293-A Compounds and methods for treating infections 尼奥酷里私人有限公司 2023-09-22 CN disclosed
CN-116715625-A Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-09-08 CN disclosed
CN-116508784-A Application of palmitic acid in improving pseudomonas stutzeri in promoting plant growth and reducing nitrous oxide emission of farmland soil 南京工业大学 2023-08-01 CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
CN-116251176-A Subcutaneous antibiotic pharmaceutical composition 上海宝济药业有限公司 2023-06-13 CN disclosed
CN-111675635-B Compounds and methods for treating infections 尼奥酷里私人有限公司 2023-06-13 CN disclosed
CN-116077629-A Subcutaneous antibiotic pharmaceutical composition 上海宝济药业有限公司 2023-05-09 CN disclosed
CN-112574054-B Efficient nitriding reagent and application thereof 北京大学 2022-10-14 CN disclosed