SCHEMBL11266095

SCHEMBL11266095

C#CCOC(=O)C(C(C)=O)C(C(=O)CC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
MAPT P10636 4/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
GMNN O75496 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 1/20 0.38
GLO1 Q04760 1/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL11270945 0.88 LMNA (0.48) LMNAMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL11257484 0.85 ALDH1A1 (0.45) LMNAMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL11264969 0.85 ALDH1A1 (0.48) LMNAMAPTTSHRKMT2AL3MBTL1
SCHEMBL11269214 0.84 LMNA (0.43) LMNAMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL11266663 0.84 MAPT (0.44) LMNAMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL11253650 0.84 CACNA1F (0.45) LMNAMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL11254374 0.83 HTT (0.47) LMNAMAPTCYP2D6CYP2C9CYP2C19
SCHEMBL11271125 0.82 LMNA (0.48) LMNAMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL11259382 0.82 CHRNB2 (0.47) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11270360 0.82 MEN1 (0.40) LMNAMAPTCYP3A4CYP2D6CYP2C9

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