SCHEMBL9035868

SCHEMBL9035868

COC(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 5/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
RXFP1 Q9HBX9 1/20 0.36
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 3/20 0.34
POLB P06746 1/20 0.34
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
CNR1 P21554 2/20 0.32
FNTA P49354 4/20 0.32
FNTB P49356 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL5819212 0.86 KDM4E (0.34) ALDH1A1KDM4EKMT2AMEN1RXFP1
SCHEMBL8994468 0.85 RXFP1 (0.35) ALDH1A1KDM4EKMT2AMEN1RXFP1
SCHEMBL8994464 0.84 L3MBTL1 (0.34) ALDH1A1KDM4EKMT2AMEN1RXFP1
SCHEMBL9017343 0.84 KMT2A (0.44) ALDH1A1KDM4EKMT2AMEN1RXFP1
SCHEMBL7504108 0.83 GRIA2 (0.36) ALDH1A1KDM4EKMT2AMEN1RXFP1
SCHEMBL9036109 0.83 TP53 (0.37) ALDH1A1KDM4ERXFP1GRIA2GRIA4
SCHEMBL28926283 0.82 KDM4E (0.32) ALDH1A1KDM4EKMT2AMEN1RXFP1
Chlorfenapyr SCHEMBL28508419 0.82 RXFP1 (0.36) ALDH1A1KDM4EKMT2AMEN1RXFP1
Chlorfenapyr SCHEMBL40337 0.82 RXFP1 (0.35) ALDH1A1KDM4EKMT2AMEN1RXFP1
SCHEMBL8994395 0.82 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1RXFP1MAPT

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-0594940-B1 N-oxy- and thioalkylcarbonyloxyalkypyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID CO (US) 1996-08-14 EP claimed
EP-0594940-A1 N-oxy- and thioalkylcarbonyloxyalkypyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID COMPANY (US) 1994-05-04 EP claimed
US-5286741-A N-oxy- and thioalkylcarbonyloxyalkylpyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID COMPANY (US) 1994-02-15 US claimed