SCHEMBL6679202

SCHEMBL6679202

CN(C)CCNc1nc2cc(C(F)(F)F)ccc2[n+]([O-])n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
SYK P43405 1/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CDK2 P24941 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
IDH2 P48735 1/20 0.36
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
NPY1R P25929 1/20 0.36
NPY5R Q15761 1/20 0.36
CNR2 P34972 1/20 0.34
KDM1A O60341 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
RCOR1 Q9UKL0 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
SCHEMBL6677683 0.89 KCNH2 (0.36) KCNH2SYKKDM1AEHMT2RCOR1
SCHEMBL2776366 0.84 SCN9A (0.42) KDM1AEHMT2RCOR1NCF1SCN9A
SCHEMBL2774178 0.83 KCNH2 (0.40) KCNH2KDM1AEHMT2RCOR1NCF1
SCHEMBL6679102 0.80 FLT3 (0.39) KCNH2KDM1AEHMT2RCOR1NCF1
SCHEMBL2776640 0.80 KDM1A (0.42) KMT2AKDM1AEHMT2RCOR1SCN9A
SCHEMBL6673922 0.79 DNM2 (0.37) KCNH2KDM1AEHMT2RCOR1NCF1
SCHEMBL6678946 0.78 NCF1 (0.44) KMT2AKDM1AEHMT2RCOR1NCF1
SCHEMBL2776163 0.78 POLB (0.41) SCN9ARAD52
SCHEMBL6678638 0.78 KCNH2 (0.38) KCNH2MEN1KMT2A
SCHEMBL6673992 0.77 HTR1D (0.35) KCNH2NPY1RNPY5R

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-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed