SCHEMBL28509508

SCHEMBL28509508

C=C(C)C(=O)n1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
AGTR1 P30556 2/20 0.46
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
ATM Q13315 1/20 0.40
RCE1 Q9Y256 1/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL29395135 1.00 POLB (0.46) POLBAGTR1ALDH1A1KDM4EHPGD
SCHEMBL31425730 0.86 MAP2 (0.45) GAAPADI4
SCHEMBL31425731 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL28981318 0.85 MAP2 (0.50) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL28981320 0.85 ALDH1A1 (0.45) POLBALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL29099041 0.84 ALDH1A1 (0.45) POLBAGTR1ALDH1A1KDM4EHPGD
SCHEMBL29398362 0.81 MAPT (0.36) AGTR1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2490336 0.80 AGTR1 (0.53) POLBAGTR1ALDH1A1KDM4EHPGD
SCHEMBL29099037 0.80 AGTR1 (0.42) POLBAGTR1ALDH1A1KDM4EHPGD
SCHEMBL3557234 0.80 POLB (0.64) POLBALDH1A1KDM4EHPGDSMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773334-A Indolo [2, 1-alpha ] isoquinoline compound and preparation method and application thereof 杭州医学院 2022-07-22 CN claimed
CN-113698399-B Isoquinoline compound and preparation method and application thereof 浙江省人民医院 2022-05-27 CN claimed
CN-113698399-A Isoquinoline compound and preparation method and application thereof 浙江省人民医院 2021-11-26 CN claimed
CN-119372671-A Method for synthesizing amino acid compound by participation of carbon dioxide 新疆大学 2025-01-28 CN disclosed
CN-114773334-B Indolo [2, 1-alpha ] isoquinoline compound and preparation method and application thereof 杭州医学院 2023-09-19 CN disclosed
CN-114105981-B Method for preparing benzimidazole [2,1-a ] isoquinoline-6 (5H) -ketone compound 怀化学院 2022-12-30 CN disclosed
CN-114773334-A Indolo [2, 1-alpha ] isoquinoline compound and preparation method and application thereof 杭州医学院 2022-07-22 CN disclosed
CN-113698399-B Isoquinoline compound and preparation method and application thereof 浙江省人民医院 2022-05-27 CN disclosed
CN-114105981-A Method for preparing benzimidazole [2,1-a ] isoquinoline-6 (5H) -ketone compound 怀化学院 2022-03-01 CN disclosed
CN-110467640-B Preparation method of indole or benzimidazole-isoquinolone condensed heterocyclic derivative 南昌航空大学 2022-02-25 CN disclosed
CN-113698399-A Isoquinoline compound and preparation method and application thereof 浙江省人民医院 2021-11-26 CN disclosed
CN-112174957-B Method for synthesizing 5-selenoindolo [2,1-a ] isoquinoline-6 (5H) -ketone compound 桂林医学院 2021-07-02 CN disclosed
CN-112174957-A Method for synthesizing 5-selenoindolo [2,1-a ] isoquinoline-6 (5H) -ketone compound 桂林医学院 2021-01-05 CN disclosed