SCHEMBL8994459

SCHEMBL8994459

[CH2]n1c(-c2ccc(Cl)cc2)c(C#N)c(Cl)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
HPGD P15428 5/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
ADORA2A P29274 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
SCHEMBL8994449 0.86 KDM4E (0.39) KDM4EHPGDLMNAHTTALDH1A1
SCHEMBL8976138 0.82 ALDH1A1 (0.41) KDM4EHPGDLMNAHTTALDH1A1
SCHEMBL7494704 0.80 KDM4E (0.39) KDM4EHPGDLMNAHTTALDH1A1
SCHEMBL9036743 0.79 KDM4E (0.38) KDM4EHPGDLMNAHTTALDH1A1
SCHEMBL8994420 0.77 KIF11 (0.44) KDM4EHPGDLMNAHTTALDH1A1
SCHEMBL5815133 0.76 KDM4E (0.36) KDM4EHPGDLMNAHTTALDH1A1
SCHEMBL9567382 0.74 ALDH1A1 (0.39) KDM4EHPGDLMNAHTTALDH1A1
SCHEMBL5812558 0.74 RXFP1 (0.36) KDM4EHPGDLMNAHTTALDH1A1
SCHEMBL9460811 0.73 POLB (0.37) KDM4EHPGDLMNAHTTALDH1A1
SCHEMBL9460809 0.72 POLB (0.39) KDM4EHPGDLMNAHTTALDH1A1

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 8 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-0594940-B1 N-oxy- and thioalkylcarbonyloxyalkypyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID CO (US) 1996-08-14 EP claimed
EP-0594941-B1 N-substituted carbonyoxyalkylpyrrole 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
EP-0594940-B1 N-oxy- and thioalkylcarbonyloxyalkypyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID CO (US) 1996-08-14 EP disclosed
EP-0594940-A1 N-oxy- and thioalkylcarbonyloxyalkypyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID COMPANY (US) 1994-05-04 EP disclosed
US-5286741-A N-oxy- and thioalkylcarbonyloxyalkylpyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID COMPANY (US) 1994-02-15 US disclosed