SCHEMBL7038467

SCHEMBL7038467

C=C(C)c1nn2ccc3ccccc3c2c1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
POLB P06746 1/20 0.32
TP53 P04637 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
SCHEMBL7037908 0.81 HTR2A (0.36) HTR2AHTR2CPOLB
SCHEMBL7039890 0.79 PDE5A (0.42) POLBTP53
SCHEMBL7035546 0.78 HSD11B1 (0.32) HTR2AHTR2CPOLB
SCHEMBL7032843 0.70 PDE5A (0.40) POLB
SCHEMBL7038474 0.70 PDE5A (0.41) POLBTP53
SCHEMBL7037944 0.68 PDE5A (0.42) POLBTP53
SCHEMBL6822091 0.65 ADORA1 (0.41) POLBTP53
SCHEMBL7033864 0.64 ADORA1 (0.38)
SCHEMBL7036909 0.64 ADORA1 (0.43)
SCHEMBL7036143 0.63 PDE5A (0.39) POLB

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
WO-2003004494-A1 PYRIDAZINONE COMPOUND AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-16 WO disclosed