SCHEMBL11270360

SCHEMBL11270360

CCC(=O)C(c1cccc([N+](=O)[O-])c1)C(C(C)=O)C(=O)OCCOC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
LMNA P02545 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CACNA1F O60840 3/20 0.38
CACNA1D Q01668 3/20 0.38
CACNA1S Q13698 3/20 0.38

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
SCHEMBL11269214 0.89 LMNA (0.43) MEN1KMT2AL3MBTL1HPGDLMNA
SCHEMBL11257451 0.88 LMNA (0.40) MEN1KMT2AL3MBTL1HPGDLMNA
SCHEMBL11253650 0.87 CACNA1F (0.45) MEN1KMT2AL3MBTL1HPGDLMNA
SCHEMBL11270945 0.87 LMNA (0.48) MEN1KMT2AL3MBTL1HPGDLMNA
SCHEMBL11268977 0.86 LMNA (0.43) MEN1KMT2AL3MBTL1HPGDLMNA
SCHEMBL11266938 0.86 ALDH1A1 (0.45) MEN1KMT2AL3MBTL1LMNACYP2D6
SCHEMBL11259382 0.85 CHRNB2 (0.47) MEN1KMT2AL3MBTL1HPGDLMNA
SCHEMBL11271125 0.85 LMNA (0.48) MEN1KMT2AHPGDLMNACYP2C9
SCHEMBL11257484 0.85 ALDH1A1 (0.45) MEN1KMT2AL3MBTL1HPGDLMNA
SCHEMBL11264969 0.84 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1HPGDLMNA

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
US-4360520-A 1,4-Dihydropyridazine compounds, and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed