SCHEMBL7990925

SCHEMBL7990925

OC(c1ccc2c(c1)OC(F)(F)O2)(c1ccc2c(c1)OC(F)(F)O2)C1CCN(Cc2ccc(Oc3ncccn3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
HRH1 P35367 1/20 0.44
DNMT1 P26358 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
DRD4 P21917 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
FAAH O00519 5/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7976548 0.91 KCNH2 (0.46) KCNH2HRH1DNMT1EHMT2DRD4
SCHEMBL7990886 0.86 KCNH2 (0.53) KCNH2HRH1DNMT1EHMT2DRD4
SCHEMBL7472545 0.85 DNMT1 (0.58) KCNH2HRH1DNMT1EHMT2ALDH1A1
SCHEMBL7994384 0.84 KCNH2 (0.53) KCNH2HRH1DNMT1EHMT2DRD4
SCHEMBL7467030 0.76 DNMT1 (0.53) KCNH2HRH1DNMT1EHMT2
SCHEMBL7990602 0.74 KCNH2 (0.45) KCNH2HRH1DNMT1EHMT2DRD4
SCHEMBL7976493 0.74 KCNH2 (0.45) KCNH2HRH1DNMT1EHMT2DRD4
SCHEMBL8791275 0.70 KCNH2 (0.60) KCNH2HRH1DNMT1EHMT2DRD4
SCHEMBL7469624 0.69 KCNH2 (0.61) KCNH2HRH1DNMT1EHMT2DRD4
SCHEMBL7477007 0.67 KCNH2 (0.62) KCNH2HRH1DRD4ALDH1A1CHRM2

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-6184234-B1 EFFECTIVE AGRICULTURAL PESTICIDE FOR TOBACCO, BEETS, BEANS, CABBAGE CROPS FMC CORPORATION 2001-02-06 US claimed