SCHEMBL29126038

SCHEMBL29126038

CCC(Oc1cccc(Br)c1)SCc1n[nH]c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ TSHR P16473 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ SOD1 P00441 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29125811 0.89 ADORA2A (0.34) LMNAKDM4EHSD17B10ADORA2AADORA1
SCHEMBL29125723 0.87 LMNA (0.40) KMT2AMMP13LMNATSHRHSD17B10
SCHEMBL29125951 0.86 TSHR (0.42) KMT2AMMP13LMNATSHRHSD17B10
SCHEMBL29125950 0.82 LMNA (0.37) KMT2ALMNATSHRHSD17B10MAPT
SCHEMBL29125960 0.81 GLA (0.37) KMT2AMMP13LMNATSHRHSD17B10
SCHEMBL29128493 0.80 SOD1 (0.36) LMNAKDM4EHSD17B10SOD1ALDH1A1
SCHEMBL29126008 0.79 TSHR (0.43) KMT2AMMP13LMNATSHRHSD17B10
SCHEMBL29125686 0.77 TSHR (0.38) KMT2AMMP13LMNATSHRGLA
SCHEMBL29125854 0.76 ENPP3 (0.44) KMT2ALMNAKDM4ETSHRHSD17B10
SCHEMBL29125816 0.74 TSHR (0.39) KMT2ALMNATSHRHSD17B10ADORA2A

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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