SCHEMBL29074604

SCHEMBL29074604

O=C(O)C1=C(c2ccccc2Br)C(=O)N=N1.[NaH].[NaH].[NaH]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
GRM2 Q14416 1/20 0.35
KMT2A Q03164 3/20 0.35
C1R P00736 1/20 0.35
MCL1 Q07820 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KIF11 P52732 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
LMNA P02545 3/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
NFKB1 P19838 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
SCHEMBL9548228 0.76 CLCN2 (0.35) KMT2AFGFR1FGFR2FGFR4FGFR3
SCHEMBL692285 0.75 FGFR1 (0.43) ALDH1A1KMT2AFGFR1FGFR2FGFR4
SCHEMBL27875386 0.73 ALDH1A1 (0.38) ALDH1A1MAPK1KMT2AC1RSMN1; SMN2
Bicarbonate SCHEMBL11404242 0.68 MAPK1 (0.59) ALDH1A1MAPK1GRM2KMT2AC1R
Bicarbonate SCHEMBL4862453 0.68 MAPK1 (0.59) ALDH1A1MAPK1GRM2KMT2AC1R
SCHEMBL30965323 0.66 ALDH1A1 (0.42) ALDH1A1MAPK1GRM2KMT2AMCL1
SCHEMBL692332 0.66 TSHR (0.44) ALDH1A1SMN1; SMN2TP53RAB9ATTR
SCHEMBL29273156 0.66 FGFR1 (0.41) ALDH1A1MAPK1KMT2AFGFR1FGFR2
SCHEMBL5099606 0.64 KMT2A (0.64) ALDH1A1MAPK1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL11816433 0.64 ALDH1A1 (0.48) ALDH1A1MAPK1GRM2KMT2AL3MBTL1

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-115403959-B Preparation method of polarity-difference multicolor resin coating stock solution 扬州市祥华新材料科技有限公司 2023-08-18 CN disclosed