SCHEMBL28066770

SCHEMBL28066770

CCCC[C]1CCCCC1.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR5 P51681 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NOS3 P29474 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL7741425 0.97 CYP1A2 (0.39) CYP1A2NOS1NOS2MEN1KMT2A
SCHEMBL7732924 0.97 CYP1A2 (0.39) CYP1A2NOS1NOS2MEN1KMT2A
SCHEMBL7732899 0.97 CYP1A2 (0.39) CYP1A2NOS1NOS2MEN1KMT2A
SCHEMBL72009 0.97 CYP1A2 (0.39) CYP1A2NOS1NOS2MEN1KMT2A
SCHEMBL258290 0.97 CYP1A2 (0.39) CYP1A2NOS1NOS2MEN1KMT2A
SCHEMBL74182 0.95
SCHEMBL27508253 0.90 CCR5 (0.41) MEN1KMT2AALDH1A1CCR5KDM4E
SCHEMBL7733439 0.90 MEN1 (0.42) CYP1A2NOS1NOS2MEN1KMT2A
SCHEMBL7733127 0.90 MEN1 (0.42) CYP1A2NOS1NOS2MEN1KMT2A
SCHEMBL7738576 0.90 MEN1 (0.42) CYP1A2NOS1NOS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116374964-A Preparation method of high-purity lithium bis (fluorosulfonyl) imide 甘肃晶蓝科技有限公司 2023-07-04 CN claimed
CN-114230514-A Method for synthesizing 3-fluoro-2-amino isonicotinic nitrile 渭南瑞联制药有限责任公司 2022-03-25 CN claimed
CN-107304217-A Simultaneously [3,4-b] thiophene-based small molecule photovoltaic donor material, its preparation method and the application of 2- substituted thiophenes 中国科学院化学研究所 2017-10-31 CN claimed
CN-114230514-B Method for synthesizing 3-fluoro-2-amino isonicotinic nitrile 渭南瑞联制药有限责任公司 2024-05-31 CN disclosed
CN-115975082-B Graphene metallocene catalyst and preparation method thereof 安徽工业大学 2024-03-26 CN disclosed
CN-117263977-A Catalyst ligand for ethylene selective oligomerization, preparation method thereof and catalyst for ethylene selective oligomerization 海南贝欧亿科技有限公司 2023-12-22 CN disclosed
CN-114230514-A Method for synthesizing 3-fluoro-2-amino isonicotinic nitrile 渭南瑞联制药有限责任公司 2022-03-25 CN disclosed
CN-103724541-B Functionalized polymeric, rubber composition and pneumatic tire 固特异轮胎和橡胶公司 2016-07-06 CN disclosed