SCHEMBL8607015

SCHEMBL8607015

CCCC(=O)C(C#N)C(=O)c1ccc(S(C)(=O)=O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
AVPR2 P30518 1/20 0.38
GPR27 Q9NS67 1/20 0.38
MAPT P10636 4/20 0.37
THRB P10828 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMO Q99835 1/20 0.36
USP28 Q96RU2 6/20 0.36
PTGS2 P35354 1/20 0.36
ITGB1 P05556 1/20 0.36

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
SCHEMBL8606555 0.90 LMNA (0.43) LMNAALDH1A1MEN1CYP2C19PPARG
SCHEMBL8608629 0.82 LMNA (0.40) LMNAALDH1A1MEN1CYP2C19PPARG
SCHEMBL8607649 0.81 LMNA (0.43) LMNAALDH1A1MEN1CYP2C19PPARG
SCHEMBL6557980 0.79 LMNA (0.41) LMNAALDH1A1MEN1CYP2C19PPARG
SCHEMBL8606503 0.72 POLB (0.38) ALDH1A1MAPTTHRB
SCHEMBL28070432 0.70 LMNA (0.54) LMNAALDH1A1MEN1CYP2C19PPARG
SCHEMBL8489320 0.69 LMNA (0.49) LMNAALDH1A1MEN1CYP2C19PPARG
SCHEMBL1016807 0.68 LMNA (0.59) LMNAALDH1A1MEN1CYP2C19PPARG
SCHEMBL12724094 0.68 LMNA (0.59) LMNAALDH1A1MEN1CYP2C19PPARG
SCHEMBL403618 0.68 LMNA (0.74) LMNAALDH1A1MEN1CYP2C19PPARG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496630-B1 2-Cyano-1,3-dione herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-07 EP claimed
EP-0496630-A1 2-Cyano-1,3-dione herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1992-07-29 EP claimed
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed
EP-0496630-B1 2-Cyano-1,3-dione herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-07 EP disclosed
EP-0496630-A1 2-Cyano-1,3-dione herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1992-07-29 EP disclosed