SCHEMBL7968644

SCHEMBL7968644

CC[n+]1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
SLC22A3 O75751 1/20 0.54
SLC6A4 P31645 1/20 0.54
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
CHKA P35790 3/20 0.44

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
Iodide SCHEMBL7968992 0.98 SLC22A2 (0.52) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1
Bromide SCHEMBL9329150 0.98 SLC22A2 (0.52) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1
SCHEMBL1305882 0.89 MEN1 (0.54) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1
SCHEMBL29201408 0.87 MEN1 (0.52) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL17504837 0.87 MEN1 (0.52) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1
Iodide SCHEMBL3377972 0.87 KDM4E (0.56) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1
Bromide SCHEMBL483094 0.87 MEN1 (0.52) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1
SCHEMBL17933669 0.85 ALDH1A1 (0.68) ALDH1A1KDM4ERAB9ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL2463394 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL8080641 0.83 TP53 (0.56) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1

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-118791462-A Construction and application of activated quinolinecarbonitrile aggregation-induced emission probe 华东理工大学 2024-10-18 CN claimed
US-6176909-B1 IN POLYMERIC BINDER XEROX CORPORATION 2001-01-23 US claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0615855-B1 Recording sheets containing pyridinium and/or piperazinum compounds XEROX CORP (US) 1997-05-14 EP claimed
CN-118791462-A Construction and application of activated quinolinecarbonitrile aggregation-induced emission probe 华东理工大学 2024-10-18 CN disclosed
WO-2023108111-A2 POLYMERS CONTAINING BETA-AMINO-ESTER (BAE) AND BETA-THIO-ESTER (BTE) GEORGIA TECH RESEARCH CORPORATION (US) 2023-06-15 WO disclosed
EP-4045562-A2 BRUSH PRODRUGS AND USES THEREOF Massachusetts Institute of Technology (US) 2022-08-24 EP disclosed
EP-3837266-A1 DEGRADABLE POLYMERS OF A CYCLIC SILYL ETHER AND USES THEREOF Massachusetts Institute of Technology (US) 2021-06-23 EP disclosed
WO-2020037236-A1 DEGRADABLE POLYMERS OF A CYCLIC SILYL ETHER AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-02-20 WO disclosed
CN-106661735-B Palladium plating solution and palladium coating film obtained using the same 日本高纯度化学株式会社 2019-12-10 CN disclosed
WO-2019023654-A9 DISCOVERY OF SMALL MOLECULES THAT TARGET THE ANDROGEN RECEPTOR AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-02-28 WO disclosed
WO-2019023654-A2 DISCOVERY OF SMALL MOLECULES THAT TARGET THE ANDROGEN RECEPTOR AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-01-31 WO disclosed
CN-108456168-A The C of a kind of structure novel19Diterpene alkaloid and application thereof 西南交通大学 2018-08-28 CN disclosed
WO-2018093864-A1 NANOPARTICLE CONJUGATES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-05-24 WO disclosed
US-6176909-B1 IN POLYMERIC BINDER XEROX CORPORATION 2001-01-23 US disclosed