SCHEMBL29125824

SCHEMBL29125824

O=c1[nH]nc(CSCCOc2cc(F)ccc2F)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ DAO P14920 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TTR P02766 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CCNT1 O60563 2/20 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
SCHEMBL29125734 0.90 TSHR (0.40) TSHRLMNAKMT2AHTTMMP13
SCHEMBL29125672 0.88 KDM4E (0.40) LMNAKMT2AHTTALDH1A1KDM4E
SCHEMBL29125809 0.81 TSHR (0.46) TSHRLMNAKMT2AHTTMMP13
SCHEMBL29125862 0.78 ALDH1A1 (0.40) LMNAKMT2AHTTALDH1A1KDM4E
SCHEMBL29128467 0.78 ADRA1D (0.34) LMNAHTTALDH1A1KDM4EDAO
SCHEMBL29125687 0.75 TSHR (0.44) TSHRLMNAKMT2AHTTMMP13
SCHEMBL29125836 0.75 TSHR (0.36) TSHRLMNAKMT2AHSD17B10ALDH1A1
SCHEMBL29125771 0.74 KMT2A (0.54) TSHRLMNAKMT2AHTTMMP13
SCHEMBL29125829 0.74 KMT2A (0.44) TSHRLMNAKMT2AHTTMMP13
SCHEMBL29125858 0.72 KMT2A (0.52) TSHRLMNAKMT2AHTTMMP13

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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