SCHEMBL6434689

SCHEMBL6434689

CCCCCCCCCCCCCCCC[n+]1ccn(C)c1C.F[B-](F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
EEF2K O00418 2/20 0.41
EEF2 P13639 2/20 0.41
PLK4 O00444 1/20 0.41
JAK2 O60674 1/20 0.41
EGFR P00533 1/20 0.41
TYK2 P29597 1/20 0.41
FLT3 P36888 1/20 0.41
BLM P54132 1/20 0.41
ITK Q08881 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HTT P42858 3/20 0.41
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL385087 1.00 CA1 (0.55) CA1CA2MEN1KMT2AEEF2K
SCHEMBL28416359 1.00 CA1 (0.55) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5077157 1.00 CA1 (0.55) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5682591 1.00 CA1 (0.55) CA1CA2MEN1KMT2AEEF2K
Bromide SCHEMBL1329494 0.98 CA1 (0.57) CA1CA2MEN1KMT2AEEF2K
Bromide SCHEMBL1330852 0.98 CA1 (0.54) CA1CA2MEN1KMT2AEEF2K
Bromide SCHEMBL1330725 0.98 CA1 (0.57) CA1CA2MEN1KMT2AEEF2K
Bromide SCHEMBL1330860 0.98 CA1 (0.57) CA1CA2MEN1KMT2AEEF2K
Bromide SCHEMBL1330831 0.98 CA1 (0.57) CA1CA2MEN1KMT2AEEF2K
Bromide SCHEMBL1329489 0.98 CA1 (0.54) CA1CA2MEN1KMT2AEEF2K

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-20050137310-A1 Polymer nanocomposites and methods for their preparation CITIBANK, N.A., AS COLLATERAL AGENT 2005-06-23 US disclosed