SCHEMBL9017316

SCHEMBL9017316

CC(=O)NCC(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Cl)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 8/20 0.37
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
PPARG P37231 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
RECQL P46063 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL9017310 0.89 KMT2A (0.47) RXFP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL9017309 0.87 KMT2A (0.49) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9017293 0.83 MAPT (0.38) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL9017343 0.80 KMT2A (0.44) RXFP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL8994390 0.80 L3MBTL1 (0.35) RXFP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL5815133 0.80 KDM4E (0.36) RXFP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL8994386 0.78 PAX8 (0.35) RXFP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL9035868 0.78 ALDH1A1 (0.38) RXFP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL5812558 0.78 RXFP1 (0.36) RXFP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL8994470 0.77 LMNA (0.39) RXFP1ALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594942-B1 N-aminoalkylcarbonyloxyalkylpyrrole insecticidal acaricidal and molluscicidal agents AMERICAN CYANAMID CO (US) 1996-09-04 EP claimed
EP-0594942-A1 N-aminoalkylcarbonyloxyalkylpyrrole insecticidal acaricidal and molluscicidal agents AMERICAN CYANAMID COMPANY (US) 1994-05-04 EP claimed
US-5286743-A N-aminoalkylcarbonyloxyalkylpyrrole insecticidal acaricidal and molluscicidal agents AMERICAN CYANAMID COMPANY (US) 1994-02-15 US claimed