SCHEMBL28419401

SCHEMBL28419401

COc1c[nH]c(=O)[nH]c1=O.O=C(O)n1c(=O)cc[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2976953 0.76 ALDH1A1 (0.33) KMT2AALDH1A1POLB
SCHEMBL102177 0.76 ATAD2 (0.52) KMT2AALDH1A1LMNAGAAATAD2
SCHEMBL28132698 0.74 MAP2K1 (0.35) KMT2AALDH1A1POLB
Uracil SCHEMBL28405698 0.74 CRBN (0.57) KMT2AALDH1A1LMNAGAAATAD2
SCHEMBL28376617 0.72 ALDH1A1 (0.35) KMT2AALDH1A1LMNAGAAATAD2
SCHEMBL5075425 0.68 SLC22A6 (0.47) ALDH1A1LMNACYP1A2GAAATAD2
SCHEMBL30186008 0.68 POLB (0.38) ALDH1A1LMNAGAAPOLBSMN1; SMN2
SCHEMBL1061623 0.66 GAA (0.48) ALDH1A1LMNACYP1A2GAAATAD2
SCHEMBL28777458 0.66 GAA (0.44) ALDH1A1LMNACYP1A2GAAATAD2
Acetic Acid SCHEMBL27871291 0.65 POLB (0.51) L3MBTL1ALDH1A1LMNACYP1A2GAA

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-106659146-B Humanized C5 and C3 animals 再生元制药公司 2020-06-23 CN disclosed