SCHEMBL29136972

SCHEMBL29136972

O=C1C=NC(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
GAA P10253 1/20 0.32

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
SCHEMBL6368612 0.73 MGLL (0.44) CYP11B1CYP11B2
SCHEMBL2490844 0.67 PARL (0.41) CYP11B1CYP11B2
SCHEMBL29829993 0.61 GSK3A (0.44) CYP11B1CYP11B2GAA
SCHEMBL30951959 0.60 CES1 (0.50) GAA
SCHEMBL8312129 0.60 ALDH1A1 (0.33) CYP11B1CYP11B2
SCHEMBL383639 0.60 CA9 (0.44)
SCHEMBL240232 0.60 MGLL (0.44)
SCHEMBL7993526 0.58 CYP11B1 (0.48) CYP11B1CYP11B2GAA
SCHEMBL30577371 0.57 CYP11B1 (0.57) CYP11B1CYP11B2
SCHEMBL8178 0.57 KCNN4 (0.53)

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-117355523-A Polycyclic inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed