SCHEMBL9735233

SCHEMBL9735233

CC(=O)Nc1ccc(=O)n(C2=CC(C)(C)Cc3ccc(C#N)cc32)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.36
DRD2 P14416 6/20 0.35
DRD3 P35462 6/20 0.35
KDM1A O60341 1/20 0.35
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
IDO1 P14902 1/20 0.34
NAMPT P43490 2/20 0.34
EGLN2 Q96KS0 3/20 0.34
OTUD7B Q6GQQ9 2/20 0.34
MOK Q9UQ07 1/20 0.34
NQO2 P16083 1/20 0.34

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 0.86 EGLN2 (0.38) PGRDRD2DRD3KDM1AHSP90AA1
SCHEMBL9733537 0.86 EGLN2 (0.33) PGRDRD2DRD3KDM1AHSP90AA1
SCHEMBL9733851 0.83 MAOB (0.34) PGR
SCHEMBL9735211 0.81 ABCC9 (0.34) PGRDRD2
SCHEMBL9733222 0.81 POLB (0.34) PGR
SCHEMBL8088372 0.81 PDE4A (0.39) PGRDRD2DRD3KDM1AIDO1
SCHEMBL9733777 0.80 EGLN2 (0.33) EGLN2OTUD7B
SCHEMBL9733641 0.80 OTUD7B (0.31) OTUD7B
SCHEMBL9733001 0.80 OTUD7B (0.35) PGRDRD2DRD3OTUD7B
SCHEMBL9733322 0.79 KCNJ1 (0.36) 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