SCHEMBL9733537

SCHEMBL9733537

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 4/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
PGR P06401 1/20 0.32
HSP90AA1 P07900 1/20 0.31
TLR9 Q9NR96 1/20 0.31
KDM1A O60341 1/20 0.31
OTUD7B Q6GQQ9 3/20 0.31
NAMPT P43490 2/20 0.31
IDO1 P14902 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
NQO2 P16083 1/20 0.31
DYRK1A Q13627 1/20 0.30
AR P10275 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
SCHEMBL9733497 0.89 EGLN2 (0.38) EGLN2DRD2DRD3PGRHSP90AA1
SCHEMBL9735233 0.86 PGR (0.36) EGLN2DRD2DRD3PGRHSP90AA1
SCHEMBL9733641 0.85 OTUD7B (0.31) OTUD7BDYRK1A
SCHEMBL9733508 0.84 PGR (0.32) PGR
SCHEMBL9735213 0.82 POLB (0.33) PGR
SCHEMBL9733777 0.81 EGLN2 (0.33) EGLN2OTUD7BDYRK1AAR
SCHEMBL8085352 0.81 PDE4A (0.39) EGLN2DRD2DRD3KDM1ACYP1A2
SCHEMBL9733168 0.80 ABCC9 (0.34)
SCHEMBL9733001 0.79 OTUD7B (0.35) DRD2DRD3PGROTUD7BCYP1A2
SCHEMBL9734137 0.77 BACE1 (0.35) PGR

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