SCHEMBL9733641

SCHEMBL9733641

CC(=O)Nc1cc(Br)cn(C2=CC(C)(C)Cc3ccc(C#N)cc32)c1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 2/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL9733777 0.89 EGLN2 (0.33) OTUD7BDYRK1A
SCHEMBL9733537 0.85 EGLN2 (0.33) OTUD7BDYRK1A
SCHEMBL9733001 0.85 OTUD7B (0.35) OTUD7BDYRK1A
SCHEMBL9733508 0.84 PGR (0.32)
SCHEMBL9734137 0.82 BACE1 (0.35)
SCHEMBL9733497 0.81 EGLN2 (0.38) OTUD7B
SCHEMBL8077310 0.81 PDE4A (0.37) DYRK1A
SCHEMBL9735233 0.80 PGR (0.36) OTUD7B
SCHEMBL9733596 0.79 VCAM1 (0.34)
SCHEMBL9735213 0.77 POLB (0.33)

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
US-5132307-A TETRALIN COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-21 US disclosed
EP-0368160-A1 Tetralin derivatives MERCK PATENT GmbH (DE) 1990-05-16 EP disclosed