SCHEMBL9733497

SCHEMBL9733497

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 4/20 0.38
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
AR P10275 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 2/20 0.33
PGR P06401 1/20 0.32
MCHR1 Q99705 2/20 0.32
CNR2 P34972 1/20 0.32
HSP90AA1 P07900 1/20 0.31
TLR9 Q9NR96 1/20 0.31
KDM1A O60341 1/20 0.31
OTUD7B Q6GQQ9 2/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL9733537 0.89 EGLN2 (0.33) EGLN2DRD2DRD3ARPGR
SCHEMBL9735233 0.86 PGR (0.36) EGLN2DRD2DRD3PGRHSP90AA1
SCHEMBL9733777 0.85 EGLN2 (0.33) EGLN2ARPPARGCNR2OTUD7B
SCHEMBL9734810 0.84 ABCC9 (0.32) PGR
SCHEMBL9733571 0.82 POLB (0.33) PGR
SCHEMBL9733641 0.81 OTUD7B (0.31) OTUD7B
SCHEMBL8090684 0.81 EGLN2 (0.38) EGLN2DRD2DRD3AR
SCHEMBL9733591 0.80 VCAM1 (0.37)
SCHEMBL9733001 0.79 OTUD7B (0.35) DRD2DRD3ALDH1A1PGROTUD7B
SCHEMBL9733746 0.78 PGR (0.34) 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