SCHEMBL24831751

SCHEMBL24831751

C=Cn1cc(C(=O)OCC)c(N)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 8/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CSNK1D P48730 1/20 0.42
TSHR P16473 3/20 0.41
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 3/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL645045 0.80 ADORA3 (0.54) RAB9AALDH1A1MEN1KMT2AHSD17B10
SCHEMBL175330 0.77 ALDH1A1 (0.46) RAB9AALDH1A1MEN1KMT2AHSD17B10
SCHEMBL17785298 0.76 ALDH1A1 (0.45) RAB9AALDH1A1MEN1KMT2AHSD17B10
SCHEMBL20098494 0.75 ADORA3 (0.55) RAB9AALDH1A1MEN1KMT2AHSD17B10
SCHEMBL9543825 0.74 ALDH1A1 (0.42) RAB9AALDH1A1MEN1KMT2AHSD17B10
SCHEMBL12429197 0.73 TEAD2 (0.45) RAB9AALDH1A1MEN1KMT2AHSD17B10
SCHEMBL31715177 0.73 ALDH1A1 (0.43) RAB9AALDH1A1MEN1KMT2AHSD17B10
SCHEMBL31352252 0.72 ADORA3 (0.57) RAB9AALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1407095 0.72 CSNK1D (0.46) RAB9AALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3720342 0.71 NPC1 (0.46) RAB9AALDH1A1MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367098-A1 VINYL THIANTHRENIUM COMPOUND, PROCESS FOR ITS PREPARATION AND ITS USE FOR TRANSFERRING A VINYL GROUP Studiengesellschaft Kohle gGmbH (DE) 2024-05-15 EP disclosed
CN-117651696-A Vinyl thianthrene onium compounds, method for the production thereof and use thereof for transferring vinyl groups 科勒研究非盈利有限责任公司 2024-03-05 CN disclosed
WO-2023280638-A9 VINYL THIANTHRENIUM COMPOUND, PROCESS FOR ITS PREPARATION AND ITS USE FOR TRANSFERRING A VINYL GROUP STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-01-18 WO disclosed
WO-2023280638-A1 VINYL THIANTHRENIUM COMPOUND, PROCESS FOR ITS PREPARATION AND ITS USE FOR TRANSFERRING A VINYL GROUP STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-01-12 WO disclosed
EP-4112600-A1 VINYL THIANTHRENIUM COMPOUND, PROCESS FOR ITS PREPARATION AND ITS USE FOR TRANSFERRING A VINYL GROUP Studiengesellschaft Kohle mbH (DE) 2023-01-04 EP disclosed