SCHEMBL3233191

SCHEMBL3233191

NC=C(N)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 1/20 0.47
MMP3 P08254 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
PTPN1 P18031 1/20 0.44
CDC25B P30305 1/20 0.44
PLK1 P53350 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PTK2B Q14289 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41

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
Hydrochloric Acid SCHEMBL16207824 0.98 NR4A1 (0.48) NR4A1NR4A2NR4A3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2228848 0.98 NR4A1 (0.48) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL49654 0.80 NR4A1 (0.56) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL29393451 0.80 NR4A1 (0.56) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL3922072 0.79 CYP1A2 (0.51) NR4A1NR4A2NR4A3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5847290 0.78 NR4A1 (0.54) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL422594 0.74 NR4A1 (0.46) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL28596381 0.74 NR4A1 (0.54) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL30849325 0.74 NR4A1 (0.54) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL29381201 0.74 KDM4E (0.68) NR4A1NR4A2NR4A3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148705-A1 USE OF DESERT ALGAE SKIN-CARE RAW MATERIAL IN PREPARATION OF SKIN SOOTHING AGENT 广州市科能化妆品科研有限公司 2024-07-18 WO disclosed
CN-118340913-A Antibacterial material capable of generating NO through glucose induction and preparation method and application thereof 江西师范大学 2024-07-16 CN disclosed
CN-117126032-A Azulene compound, preparation method and application thereof 中国科学院上海有机化学研究所 2023-11-28 CN disclosed
CN-116283717-A Ligustilide derivative and preparation method and application thereof 暨南大学 2023-06-23 CN disclosed
CN-114983845-B Application of gallic acid polymer compound in preparation of whitening products 昆明理工大学 2023-06-23 CN disclosed
CN-115737478-B Application of desert algae skin care raw material in preparation of skin soothing agent 广州市科能化妆品科研有限公司 2023-06-02 CN disclosed
CN-115992084-A Recombinant lactobacillus expressing bovine macrophage granulocyte colony stimulating factor and application thereof 吉林农业大学 2023-04-21 CN disclosed
CN-112370515-A Antipyretic Chinese medicinal mixture for treating epidemic common cold, and its preparation method and application 云南省中医医院(云南中医药大学第一附属医院) 2021-02-19 CN disclosed
CN-106497797-B Extract of fungus culture and preparation method and application thereof 深圳大学 2020-02-07 CN disclosed
CN-103113196-B Glechoma longituba phenol, and preparation method and application thereof UNIV ZHEJIANG 2014-08-06 CN disclosed
CN-103113196-A Glechoma longituba phenol, and preparation method and application thereof UNIV ZHEJIANG 2013-05-22 CN disclosed
WO-2010013191-A2 COSMETIC COMPOSITION AND PROCESS FOR REGROWTH OF INTEGUMENTARY SYSTEM GENNERO LUISA (IT) 2010-02-04 WO disclosed
EP-1220680-B1 ECHINACEA SUPPLEMENT AND METHOD OF MANUFACTURE FACTORS R & D TECHNOLOGIES LTD (CA) 2008-03-12 EP disclosed
US-20030152653-A1 Echinacea supplement and method of manufacture FACTORS R & D TECHNOLOGIES LTD. 2003-08-14 US disclosed
US-6511683-B1 Plant extracts containing cichoric acid, alkylamides and polysaccharides; enhancing immune system FACTORS R & D TECHNOLOGIES LTD. (CA) 2003-01-28 US disclosed
EP-1220680-A2 ECHINACEA SUPPLEMENT AND METHOD OF MANUFACTURE Factors R & D Technologies Ltd. (CA) 2002-07-10 EP disclosed
WO-2001022977-A2 ECHINACEA SUPPLEMENT AND METHOD OF MANUFACTURE FACTORS R & D TECHNOLOGIES LTD. (CA) 2001-04-05 WO disclosed