SCHEMBL7129127

SCHEMBL7129127

CN=CN(C)c1cc(C)c(-c2cccc(C(F)(F)F)c2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
KCNA3 P22001 1/20 0.35
RAF1 P04049 1/20 0.35
IKBKB O14920 1/20 0.34
BRD4 O60885 1/20 0.34
KDM1A O60341 1/20 0.34
PIM1 P11309 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CYP17A1 P05093 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL6501316 0.76 GAA (0.42) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL6501313 0.76 GAA (0.42) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL26375402 0.73 SLC1A3 (0.50) HTR1AHTR7SLC1A3SLC1A2SLC1A1
SCHEMBL6498979 0.71 IKBKB (0.48) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL12629284 0.70 SLC1A3 (0.48) HTR1AHTR7SLC1A3SLC1A2SLC1A1
SCHEMBL321574 0.70 AR (0.50) HTR1AHTR7SLC1A3SLC1A2SLC1A1
SCHEMBL10094660 0.69 SLC1A3 (0.47) HTR1AHTR7SLC1A3SLC1A2SLC1A1
SCHEMBL16574009 0.68 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1KCNA3RAF1
SCHEMBL16709394 0.68 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1KCNA3RAF1
SCHEMBL16290493 0.66 MAOA (0.54) SLC1A3SLC1A2SLC1A1AKR1C3AKR1C2

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
EP-1150944-B1 N2-PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2003-08-20 EP disclosed