SCHEMBL29128341

SCHEMBL29128341

O=c1[nH]cc(CSCC(Br)Oc2ccccc2Br)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL29128506 0.85 — —
SCHEMBL29125932 0.78 TSHR (0.45) GRM4LMNAKMT2A
SCHEMBL29128480 0.74 USP2 (0.31) USP2PABPC1TDP1L3MBTL1
SCHEMBL29125764 0.73 TSHR (0.32) GRM4LMNA
SCHEMBL29128505 0.73 PPARG (0.36) LMNAUSP2PABPC1TDP1L3MBTL1
SCHEMBL29128351 0.72 — —
SCHEMBL29128610 0.72 HTR1A (0.42) GRM4LMNAMEN1MAPK1KMT2A
SCHEMBL29128492 0.72 ALDH1A1 (0.34) USP2PABPC1TDP1L3MBTL1
SCHEMBL29128290 0.69 USP2 (0.33) USP2PABPC1TDP1L3MBTL1
SCHEMBL29128207 0.67 RAB9A (0.45) LMNAMEN1KMT2AUSP2PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263862-A Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof 吉首大学 2023-12-22 — — CN disclosed
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