SCHEMBL845776

SCHEMBL845776

O=CC(Br)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP1A2 P05177 1/20 0.61
ACP3 P15309 4/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CMA1 P23946 2/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
SLC6A4 P31645 1/20 0.37
CTSG P08311 1/20 0.36

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
SCHEMBL5950022 0.80 ALDH1A1 (0.39) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL7924283 0.80 ALDH1A1 (0.61) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL29957205 0.79 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL6005218 0.79 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL18242412 0.79 ALDH1A1 (0.71) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL5949824 0.78 PARP1 (0.39) ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL5236200 0.77 CYP1A2 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2CYP2A6
SCHEMBL11444158 0.76 ALDH1A1 (1.00) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL28192 0.76 ALDH1A1 (0.74) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL9669273 0.76 ALDH1A1 (0.67) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930621-A Fungus-inhibiting matrine hydrazine thiazole derivative and preparation method and application thereof 南京林业大学 2025-05-06 CN claimed
CN-119661534-A Matrine aminothiazole derivative and preparation method and application thereof 南京林业大学 2025-03-21 CN claimed
CN-119930621-A Fungus-inhibiting matrine hydrazine thiazole derivative and preparation method and application thereof 南京林业大学 2025-05-06 CN disclosed
CN-119661534-A Matrine aminothiazole derivative and preparation method and application thereof 南京林业大学 2025-03-21 CN disclosed
EP-2432774-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS Ardea Biosciences, Inc. (US) 2012-03-28 EP disclosed
WO-2010135530-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed
WO-2000037433-A1 INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-06-29 WO disclosed
EP-0871626-A1 NOVEL TRIAZOLONES AS APOLIPOPROTEIN-B SYNTHESIS INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-21 EP disclosed
WO-1996033193-A1 NOVEL TRIAZOLONES AS APOLIPOPROTEIN-B SYNTHESIS INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 1996-10-24 WO disclosed