SCHEMBL26736085

SCHEMBL26736085

O=C(Cc1ccccc1)Nc1nnc(N2CC[C@@H](Nc3nnc(NCCc4ccccc4)s3)C2)s1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 0.86

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
SCHEMBL17654173 0.93 GLS (1.00) GLS
SCHEMBL17664624 0.93 GLS (1.00) GLS
SCHEMBL17654174 0.93 GLS (1.00) GLS
SCHEMBL17654132 0.87 GLS (1.00) GLS
SCHEMBL28452921 0.82 GLS (0.90) GLS
SCHEMBL17654098 0.81 GLS (1.00) GLS
SCHEMBL26706154 0.81 GLS (0.89) GLS
SCHEMBL17654144 0.81 GLS (0.89) GLS
SCHEMBL26736659 0.81 GLS (0.86) GLS
SCHEMBL20373637 0.79 GLS (1.00) GLS

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-2023215756-A2 COMPOSITIONS AND METHODS FOR TREATING PULMONARY VASCULAR DISEASE UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-11-09 — — WO disclosed
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