SCHEMBL29128529

SCHEMBL29128529

O=c1[nH]cc(CSCCc2ccccc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 5/20 0.50
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ CYP2C19 P33261 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALPL P05186 1/20 0.42
▸ ALPI P09923 1/20 0.42
▸ ALPG P10696 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CA2 P00918 1/20 0.41
▸ USP2 O75604 2/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29128207 0.88 RAB9A (0.45) DAOMAPTKDM4EMEN1KMT2A
SCHEMBL30799869 0.83 LTA4H (0.41) DAOMAPTKDM4EMEN1KMT2A
SCHEMBL13757285 0.80 DAO (0.49) DAOMAPTKDM4EMEN1KMT2A
SCHEMBL29128546 0.79 KCNA3 (0.41) MAPTKDM4ESMN1; SMN2USP2PABPC1
SCHEMBL29128461 0.77 LTA4H (0.46) DAOMAPTKDM4EMEN1KMT2A
SCHEMBL29128492 0.75 ALDH1A1 (0.34) DAOCYP1A2USP2PABPC1TDP1
SCHEMBL29128250 0.73 CTSS (0.33) MAPTKMT2AHTTUSP2PABPC1
SCHEMBL29128476 0.72 DPYD (0.33) MAPTKDM4EHTTUSP2PABPC1
SCHEMBL29128339 0.71 USP2 (0.32) DAOMAPTKDM4EMEN1KMT2A
SCHEMBL29128533 0.70 KMT2A (0.44) DAOMAPTKDM4EMEN1KMT2A

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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