SCHEMBL31630833

SCHEMBL31630833

O=C(O)c1nn(Cc2ccccc2F)c2ncc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.51
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GUCY1A1 Q02108 2/20 0.44
GUCY1B1 Q02153 2/20 0.44

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
SCHEMBL18672347 1.00 PDE5A (0.51) PDE5AKMT2AMEN1GUCY1A1GUCY1B1
SCHEMBL174635 0.89 PDE5A (0.48) PDE5AGUCY1A1GUCY1B1
Hydrochloric Acid SCHEMBL29219152 0.88 PDE5A (0.47) PDE5AGUCY1A1GUCY1B1
SCHEMBL14998057 0.86 PDE5A (0.48) PDE5AGUCY1A1GUCY1B1
SCHEMBL255981 0.86 PDE5A (0.49) PDE5AGUCY1A1GUCY1B1
SCHEMBL18672348 0.86 PDE5A (0.46) PDE5AGUCY1A1GUCY1B1
Acetic Acid SCHEMBL428284 0.86 PDE5A (0.48) PDE5AGUCY1A1GUCY1B1
SCHEMBL29859628 0.85 PDE5A (0.46) PDE5AGUCY1A1GUCY1B1
SCHEMBL9913932 0.85 PDE5A (0.46) PDE5AGUCY1A1GUCY1B1
SCHEMBL175229 0.85 PDE5A (0.47) PDE5AKMT2AMEN1

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-120172968-A New preparation method of valcidine intermediate 广东东阳光药业股份有限公司 2025-06-20 CN disclosed