SCHEMBL29128388

SCHEMBL29128388

O=c1[nH]cc(CSCCCOc2ccc(F)cc2F)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.34
▸ TRPA1 O75762 2/20 0.33
▸ GRM2 Q14416 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PRKAB2 O43741 2/20 0.31
▸ PRKAG1 P54619 2/20 0.31
▸ PRKAA2 P54646 2/20 0.31
▸ PRKAA1 Q13131 2/20 0.31
▸ PRKAG3 Q9UGI9 2/20 0.31
▸ PRKAG2 Q9UGJ0 2/20 0.31
▸ PRKAB1 Q9Y478 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MPO P05164 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ NPC1 O15118 2/20 0.31

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
SCHEMBL29128420 0.88 MEN1 (0.40) ALDH1A1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL29128332 0.86 ALDH1A1 (0.34) TRPA1ALDH1A1ALOX15TSHRMPO
SCHEMBL29125790 0.81 ALDH1A1 (0.43) NR3C2GRM2ALDH1A1ALOX15TSHR
SCHEMBL29128402 0.78 RAB9A (0.34) TRPA1GRM2ALDH1A1KMT2APOLB
SCHEMBL29128532 0.78 CYSLTR2 (0.30) —
SCHEMBL29128606 0.77 ADRA1D (0.30) —
SCHEMBL29128179 0.75 ALDH1A1 (0.42) ALDH1A1TSHRPOLBHPGDRAB9A
SCHEMBL29128590 0.74 MAOB (0.35) ALDH1A1TSHRL3MBTL1
SCHEMBL29128384 0.74 HTR1B (0.36) ALDH1A1ALOX15TSHRPRKAG1PRKAA1
SCHEMBL29128446 0.73 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2AHPGDNPC1

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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