SCHEMBL29128358

SCHEMBL29128358

S=c1[nH]cc(CSCCCOc2ccc(Br)cc2Br)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ ST14 Q9Y5Y6 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.31
▸ NPC1 O15118 3/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 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
SCHEMBL29128517 0.86 HTR1B (0.35) F2PLAUST14MAPK1TDP1
SCHEMBL29128423 0.81 RAB9A (0.42) L3MBTL1ALDH1A1RAB9ACYP1A2CYP2D6
SCHEMBL30800046 0.81 RAB9A (0.42) L3MBTL1ALDH1A1RAB9ACYP1A2CYP2D6
SCHEMBL29125893 0.79 PTGS1 (0.36) F2PLAUST14MAPK1TDP1
SCHEMBL29128489 0.77 — —
SCHEMBL29128300 0.77 LMNA (0.32) KMT2ALMNAHTTMAPT
SCHEMBL29128535 0.76 L3MBTL1 (0.31) L3MBTL1
SCHEMBL29128316 0.76 ALDH1A1 (0.41) TDP1L3MBTL1TSHRALDH1A1SMN1; SMN2
SCHEMBL29128372 0.75 — —
SCHEMBL29128359 0.75 ALDH1A1 (0.43) L3MBTL1ALDH1A1HTR1BSMN1; SMN2NPC1

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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