SCHEMBL8948477

SCHEMBL8948477

COC(=O)[NH+]([O-])c1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.61
EHMT2 Q96KQ7 1/20 0.61
HRH1 P35367 1/20 0.48
TEAD1 P28347 2/20 0.47
KCNH2 Q12809 6/20 0.47
SIGMAR1 Q99720 2/20 0.46
GPR119 Q8TDV5 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
GSK3B P49841 1/20 0.42

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
SCHEMBL8948403 0.91 DNMT1 (0.50) DNMT1EHMT2HRH1TEAD1KCNH2
SCHEMBL7997652 0.76 DNMT1 (0.60) DNMT1EHMT2HRH1TEAD1KCNH2
SCHEMBL29434969 0.76 DNMT1 (1.00) DNMT1EHMT2HRH1TEAD1KCNH2
Hydrochloric Acid SCHEMBL8200558 0.74 KCNH2 (0.67) DNMT1EHMT2HRH1KCNH2SIGMAR1
SCHEMBL7472446 0.74 DNMT1 (0.58) DNMT1EHMT2HRH1KCNH2MEN1
SCHEMBL8908394 0.73 DNMT1 (0.57) DNMT1EHMT2HRH1TEAD1KCNH2
SCHEMBL7995588 0.72 DNMT1 (0.56) DNMT1EHMT2HRH1KCNH2
SCHEMBL7472545 0.72 DNMT1 (0.58) DNMT1EHMT2HRH1KCNH2SIGMAR1
SCHEMBL8199968 0.71 DNMT1 (0.62) DNMT1EHMT2HRH1TEAD1KCNH2
SCHEMBL7472985 0.71 LMNA (0.56) DNMT1EHMT2HRH1TEAD1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 US claimed