SCHEMBL21723926

SCHEMBL21723926

COc1ccc(C)cc1C=N[S+]([O-])C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 5/20 0.33
USP2 O75604 1/20 0.33
AMY1A P0DUB6 1/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.33
GFER P55789 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL4 Q8NA19 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL23521965 1.00 ACHE (0.41) ACHEALDH1A1CYP3A4L3MBTL1SMN1; SMN2
SCHEMBL21723924 1.00 ACHE (0.41) ACHEALDH1A1CYP3A4L3MBTL1SMN1; SMN2
SCHEMBL23521961 1.00 ACHE (0.41) ACHEALDH1A1CYP3A4L3MBTL1SMN1; SMN2
SCHEMBL23522182 0.84 NFE2L2 (0.38) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL23522183 0.84 NFE2L2 (0.38) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL23522173 0.84 KMT2A (0.41) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL23522213 0.84 NFE2L2 (0.38) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL23522211 0.84 NFE2L2 (0.38) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL23522180 0.84 NFE2L2 (0.38) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL23522175 0.84 KMT2A (0.41) ALDH1A1KMT2AMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112839937-B Isoindolin-1-one derivatives, preparation method and application thereof 韩国化学研究院 2023-08-22 CN disclosed
CN-112839937-A Isoindolin-1-one derivative, method for preparing same, and pharmaceutical composition for preventing or treating cancer comprising same as effective component 韩国化学研究院 2021-05-25 CN disclosed
WO-2020036386-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER 한국화학연구원 2020-02-20 WO disclosed