SCHEMBL29125708

SCHEMBL29125708

O=c1[nH]nc(COc2cccc(Br)c2Br)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRS3 P32247 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPK14 Q16539 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
SCHEMBL29125720 0.85 HTR1A (0.38) HTR1AADRA2AADRA2BADRA2CNPC1
SCHEMBL29125998 0.77 BRS3 (0.39) BRS3NPC1RAB9AGLATSHR
SCHEMBL29125683 0.76 TSHR (0.51) BRS3NPC1RAB9ATSHRMEN1
SCHEMBL29125707 0.76 RAB9A (0.55) BRS3NPC1RAB9AALDH1A1LMNA
SCHEMBL29125867 0.75 ALDH1A1 (0.45) HTR1AADRA2AADRA2BADRA2CNPC1
SCHEMBL29125830 0.75 NISCH (0.49) BRS3HTR1AADRA2AADRA2BADRA2C
SCHEMBL29125928 0.73 TSHR (0.49) BRS3HTR1AADRA2AADRA2BADRA2C
SCHEMBL29125822 0.71 RAB9A (0.54) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL29125853 0.69 DAO (0.45) NPC1RAB9AGAAMAPT
SCHEMBL29125873 0.69 ALDH1A1 (0.64) ALDH1A1TSHRMEN1GAASTAT3

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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