SCHEMBL29128435

SCHEMBL29128435

CCC(Oc1ccccc1NC)SCc1c[nH]c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ APP P05067 1/20 0.32
▸ MEN1 O00255 2/20 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
▸ TSHR P16473 1/20 0.31
▸ ADAM17 P78536 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
SCHEMBL29128288 0.86 APP (0.32) APP
SCHEMBL29128255 0.85 POLB (0.34) POLBUSP2PABPC1TDP1L3MBTL1
SCHEMBL29128588 0.84 MAPT (0.37) POLBMAPTKMT2AMEN1USP2
SCHEMBL29128548 0.81 L3MBTL1 (0.34) KMT2AMEN1USP2PABPC1TDP1
SCHEMBL29128294 0.81 POLB (0.31) POLB
SCHEMBL29128531 0.76 TACR1 (0.32) MAPTKMT2AMEN1
SCHEMBL29128519 0.76 ADRA2A (0.34) —
SCHEMBL29128360 0.76 LMNA (0.32) —
SCHEMBL29128522 0.75 LMNA (0.36) MAPTTDP1L3MBTL1TSHR
SCHEMBL29128429 0.74 POLB (0.35) POLBMAPTKMT2AAPPMEN1

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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