SCHEMBL30189436

SCHEMBL30189436

CCOC(=O)C=C(N)c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
C1S P09871 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP19A1 P11511 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL11393110 0.87 PARP1 (0.53) PARP1ALDH1A1MAPTKDM4EHPGD
SCHEMBL11393086 0.87 PARP1 (0.53) PARP1ALDH1A1MAPTKDM4EHPGD
SCHEMBL7682829 0.84 PARP1 (0.50) PARP1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7682832 0.84 PARP1 (0.50) PARP1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL31749890 0.84 PARP1 (0.50) PARP1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL20028184 0.84 LMNA (0.51) PARP1ALDH1A1MAPTPKMLMNA
SCHEMBL4145995 0.84 ALDH1A1 (0.50) PARP1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL4145990 0.84 ALDH1A1 (0.50) PARP1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL4145986 0.84 ALDH1A1 (0.50) PARP1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL30152652 0.84 ALDH1A1 (0.50) PARP1ALDH1A1MAPTKDM4EMAPK1

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-115636782-B Synthesis method of polyaryl substituted pyridine 浙江工业大学 2024-07-19 CN disclosed
CN-115636782-A Synthetic method of polyaryl substituted pyridine 浙江工业大学 2023-01-24 CN disclosed