SCHEMBL30965323

SCHEMBL30965323

N=C1C(C(=O)O)=C(c2ccccc2Br)C(=N)C(C(=O)O)=C1c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
PRNP P04156 1/20 0.38
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM2 Q14416 1/20 0.36
MCL1 Q07820 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 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
SCHEMBL30965319 0.78 ALDH1A1 (0.45) ALDH1A1FGFR1FGFR2FGFR4FGFR3
SCHEMBL30965317 0.74 FGFR1 (0.52) ALDH1A1FGFR1FGFR2FGFR4FGFR3
Bicarbonate SCHEMBL4862453 0.73 MAPK1 (0.59) ALDH1A1MAPK1KMT2AMEN1LMNA
Bicarbonate SCHEMBL11404242 0.73 MAPK1 (0.59) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL29273156 0.70 FGFR1 (0.41) ALDH1A1MAPK1FGFR1FGFR2FGFR4
SCHEMBL5099606 0.68 KMT2A (0.64) ALDH1A1MAPK1KMT2ALMNAPRNP
SCHEMBL11816433 0.68 ALDH1A1 (0.48) ALDH1A1MAPK1KMT2AMEN1PRNP
SCHEMBL28323064 0.67 FGFR1 (0.52) ALDH1A1FGFR1FGFR2FGFR4FGFR3
Bicarbonate SCHEMBL27489215 0.67 ALDH1A1 (0.81) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL9861810 0.65 ALDH1A1 (0.61) ALDH1A1MAPK1NPC1RAB9ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118325078-A Preparation method and application of benzoquinone conjugated polymer 中国科学院宁波材料技术与工程研究所 2024-07-12 CN claimed
CN-118325078-A Preparation method and application of benzoquinone conjugated polymer 中国科学院宁波材料技术与工程研究所 2024-07-12 CN disclosed