SCHEMBL29128371

SCHEMBL29128371

O=c1[nH]cc(CSCC(Cl)Oc2cccc(Cl)c2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.36
▸ TP53 P04637 5/20 0.36
▸ THRB P10828 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ OGG1 O15527 1/20 0.33
▸ MAPT P10636 3/20 0.33

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
SCHEMBL29128542 0.86 TP53 (0.34) LMNATP53THRBPOLBALDH1A1
SCHEMBL29128513 0.78 MAPT (0.42) POLBALDH1A1SLC6A4CYP3A4CYP2D6
SCHEMBL29128379 0.77 MAOA (0.31) —
SCHEMBL29128405 0.75 PPARG (0.38) LMNATP53ALDH1A1SLC6A4CYP3A4
SCHEMBL29128198 0.73 SOD1 (0.37) LMNAPOLBCYP3A4CYP2C9CYP2C19
SCHEMBL29128487 0.72 — —
SCHEMBL29128175 0.71 METAP2 (0.30) —
SCHEMBL29128305 0.70 — —
SCHEMBL29128537 0.70 SOD1 (0.38) LMNAALDH1A1RAB9A
SCHEMBL29128422 0.68 ALDH1A1 (0.32) LMNAPOLBALDH1A1USP2MAPT

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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