SCHEMBL8006473

SCHEMBL8006473

Ic1ccccc1Sc1ccccc1I

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GFER P55789 1/20 0.33
IDO1 P14902 3/20 0.33
RHEB Q15382 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 1/20 0.32
MGLL Q99685 1/20 0.31
PDE7A Q13946 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21148523 0.85 HAO1 (0.43) APOBEC3GTAAR1
SCHEMBL22145829 0.85 MEN1 (0.36) MEN1MAPTKMT2ANPSR1APOBEC3G
SCHEMBL20222308 0.85 LMNA (0.47) PDE7A
SCHEMBL3609852 0.84 TUBB4A (0.45) MEN1MAPTKMT2AMGLLSMN1; SMN2
SCHEMBL22155791 0.82 DHFR (0.36) CYP1A2CYP3A4
SCHEMBL943060 0.81 APOBEC3G (0.46) MEN1MAPTKMT2ANPSR1APOBEC3G
SCHEMBL18508311 0.79
SCHEMBL17156541 0.77 HTR1A (0.51) MEN1MAPTKMT2ACYP1A2CYP3A4
SCHEMBL23986125 0.77
SCHEMBL29123914 0.77

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-113620848-A Reaction method of thiophenol and o-diiodobenzene 苏州大学 2021-11-09 CN claimed
CN-113735751-B Method for preparing aryl isothiourea 上海药坦药物研究开发有限公司 2023-03-10 CN disclosed
CN-113735751-A Method for preparing aryl isothiourea 上海药坦药物研究开发有限公司 2021-12-03 CN disclosed
CN-113620848-A Reaction method of thiophenol and o-diiodobenzene 苏州大学 2021-11-09 CN disclosed
CN-113620848-A Reaction method of thiophenol and o-diiodobenzene 苏州大学 2021-11-09 CN disclosed
CN-103787802-B One class arylalkyl thioethers compound and synthetic method thereof EAST CHINA NORMAL UNIVERSITY (CN) 2015-08-19 CN disclosed
EP-2460802-B1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME NAGOYA INST TECHNOLOGY (JP) 2014-09-03 EP disclosed
CN-103787802-A Aryl alkyl thioether compounds and synthesis method thereof UNIV EAST CHINA NORMAL 2014-05-14 CN disclosed
EP-2460802-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCITON THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME Nagoya Institute of Technology (JP) 2012-06-06 EP disclosed
WO-2000024694-A1 PHOTOCHEMICAL PROCESS FOR MAKING 1-DEOXY-2-KETO DERIVATIVES ELI LILLY AND COMPANY (US) 2000-05-04 WO disclosed
US-5268449-A Containing arylene sulfide and arylene sulfonate segments PHILLIPS PETROLEUM COMPANY (US) 1993-12-07 US disclosed
US-5250657-A Process for preparing polyarylene thioether SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1993-10-05 US disclosed
EP-0440106-A2 Process for preparing polyarylene thioethers SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1991-08-07 EP disclosed