SCHEMBL29128544

SCHEMBL29128544

S=c1[nH]cc(CSCOc2ccc(Cl)c(Cl)c2)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYB5R3 P00387 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.30
▸ HPGD P15428 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
SCHEMBL30799897 1.00 KDM4E (0.33) KDM4EGRM5SMN1; SMN2ALDH1A1LMNA
SCHEMBL30799833 0.84 RAB9A (0.35) KDM4EGRM5SMN1; SMN2ALDH1A1LMNA
SCHEMBL29128456 0.84 RAB9A (0.35) KDM4EGRM5SMN1; SMN2ALDH1A1LMNA
SCHEMBL29128312 0.80 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1LMNAKMT2ACYB5R3
SCHEMBL30799842 0.80 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1LMNAKMT2ACYB5R3
SCHEMBL30800003 0.78 ALDH1A1 (0.42) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL29128262 0.78 ALDH1A1 (0.42) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL29128350 0.77 SOD1 (0.36) KDM4ESMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL29128462 0.75 POLB (0.36) KDM4EGRM5SMN1; SMN2ALDH1A1LMNA
SCHEMBL30800061 0.75 POLB (0.36) KDM4EGRM5SMN1; SMN2ALDH1A1LMNA

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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