SCHEMBL28535205

SCHEMBL28535205

Nc1c(-c2ccccc2)c(N)c(-c2ccccc2)c(N)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 1/20 0.43
KMT2A Q03164 2/20 0.43
BRD4 O60885 1/20 0.43
TDO2 P48775 1/20 0.43
AKT2 P31751 1/20 0.43

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
SCHEMBL1899394 0.94 HSD17B10 (0.46) ALDH1A1HSD17B10MAPTLMNAHTT
SCHEMBL25632271 0.94 HSD17B10 (0.46) ALDH1A1HSD17B10MAPTLMNAHTT
SCHEMBL20837496 0.93 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTLMNAHTT
SCHEMBL675595 0.93 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTLMNAHTT
SCHEMBL5030574 0.90 HSD17B10 (0.48) ALDH1A1HSD17B10MAPTLMNAHTT
Hydrochloric Acid SCHEMBL10927721 0.90 HSD17B10 (0.48) ALDH1A1HSD17B10MAPTLMNAHTT
SCHEMBL6228506 0.90 HSD17B10 (0.48) ALDH1A1HSD17B10MAPTLMNAHTT
SCHEMBL29973146 0.84 MAPK1 (0.42) ALDH1A1HSD17B10MAPTLMNAHTT
SCHEMBL2069055 0.84 HSD17B10 (0.48) ALDH1A1HSD17B10MAPTLMNAHTT
SCHEMBL22326302 0.83 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPTLMNAHTT

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-117643307-A Hypochlorous acid-containing disinfectant and preparation method thereof 南京昊宇通医药科技有限公司 2024-03-05 CN claimed
CN-115000604-A Preparation process of aluminum plastic film for lithium battery outer package 江西永德立新能源有限公司 2022-09-02 CN claimed
CN-111379045-B Elasticity-controllable spandex and preparation method thereof 中原工学院 2022-07-26 CN claimed
CN-117643307-A Hypochlorous acid-containing disinfectant and preparation method thereof 南京昊宇通医药科技有限公司 2024-03-05 CN disclosed
CN-117224450-A Fennel face essence with good moisture retention and preparation method thereof 广州市玑蜜生物科技有限公司 2023-12-15 CN disclosed
CN-115000604-B Preparation process for lithium battery outer package aluminum plastic film 江西永德立新能源有限公司 2023-09-15 CN disclosed
CN-116687802-A Mouthwash for oral cavity and tooth care and preparation method thereof 广州宏康医药科技有限公司 2023-09-05 CN disclosed
CN-115000604-A Preparation process of aluminum plastic film for lithium battery outer package 江西永德立新能源有限公司 2022-09-02 CN disclosed
CN-111379045-B Elasticity-controllable spandex and preparation method thereof 中原工学院 2022-07-26 CN disclosed
CN-112601753-A Fluorine substituted polycyclic aromatic compound 学校法人关西学院 2021-04-02 CN disclosed