SCHEMBL9239389

SCHEMBL9239389

CCn1cc(C(=O)/C(=C/N(C)C)C(=O)C2CC2)c(C(F)(F)F)n1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PIK3CD O00329 1/20 0.30
DGAT1 O75907 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9239396 1.00 KLKB1 (0.31) KLKB1IRAK4PIK3CDDGAT1RXFP1
SCHEMBL7807338 0.73 IRAK4 (0.35) KLKB1IRAK4DGAT1RXFP1ALDH1A1
SCHEMBL5163749 0.70 LMNA (0.40)
SCHEMBL5163740 0.70 LMNA (0.40)
SCHEMBL9286626 0.70 LMNA (0.30)
SCHEMBL1194806 0.70 DGAT1 (0.41) KLKB1DGAT1ALDH1A1RECQLTDP1
SCHEMBL2401819 0.69 LMNA (0.33) ALDH1A1
SCHEMBL1824608 0.69 LMNA (0.33) ALDH1A1
SCHEMBL1824613 0.69 LMNA (0.33) ALDH1A1
SCHEMBL126201 0.69 MGLL (0.41)

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
WO-1995025105-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 1995-09-21 WO disclosed
WO-1995025099-A1 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-09-21 WO disclosed