SCHEMBL29125874

SCHEMBL29125874

CCc1ccc(OCCCSCc2n[nH]c(=S)[nH]2)c(CC)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTT P42858 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ LTB4R Q15722 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL29125803 0.90 KMT2A (0.43) KMT2AHSD17B10ALDH1A1LMNAMEN1
SCHEMBL29125842 0.85 ALDH1A1 (0.36) KMT2AHSD17B10ALDH1A1LMNAKDM4E
SCHEMBL29128535 0.80 L3MBTL1 (0.31) L3MBTL1
SCHEMBL29125772 0.80 ALDH1A1 (0.41) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL30788472 0.80 ALDH1A1 (0.41) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL29125703 0.79 TSHR (0.37) KMT2AALDH1A1LMNAKDM4ETSHR
SCHEMBL29128355 0.76 LMNA (0.33) ALDH1A1LMNAHTTMAPTUSP2
SCHEMBL29125881 0.76 KMT2A (0.31) KMT2AHSD17B10TSHRL3MBTL1
SCHEMBL29125893 0.76 PTGS1 (0.36) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL29125829 0.75 KMT2A (0.44) KMT2AHSD17B10ALDH1A1LMNAKDM4E

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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