SCHEMBL8960862

SCHEMBL8960862

CC1(C)CC(Nc2nc(NC3CC(C)(C)NC(C)(C)C3)c3ccccc3n2)CC(C)(C)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 1/20 0.54
APP P05067 2/20 0.49
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
NPY5R Q15761 1/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
RAD52 P43351 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ACP1 P24666 3/20 0.48
MERTK Q12866 5/20 0.47
CYP1A2 P05177 4/20 0.46
CLK4 Q9HAZ1 3/20 0.46

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
SCHEMBL8960634 0.81 KDM4E (0.54) ALDH1A1LMNAMEN1MAPTPKM
SCHEMBL8960711 0.81 ALDH1A1 (0.54) ALDH1A1LMNAMEN1MAPTPKM
SCHEMBL21895103 0.76 KMT2A (0.52) ALDH1A1LMNAMEN1MAPTPKM
SCHEMBL24649614 0.76 NPY5R (0.79) WHR1APPBCHEACHENPY5R
SCHEMBL3079982 0.75 ALDH1A1 (0.47) ALDH1A1LMNAMEN1MAPTPKM
SCHEMBL8960631 0.75 ALDH1A1 (0.40) ALDH1A1LMNAMEN1MAPTPKM
SCHEMBL3604835 0.74 KMT2A (0.49) ALDH1A1LMNAMEN1MAPTPKM
SCHEMBL9380274 0.71 KMT2A (0.87) ALDH1A1LMNAMEN1MAPTPKM
SCHEMBL8960702 0.70 KCNH2 (0.48) ALDH1A1LMNAMEN1MAPTPKM
SCHEMBL22144633 0.70 WHR1 (1.00) WHR1APPBCHEACHENPY5R

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-5510467-A EXCELLENT AS PIGMENTS, USEFUL FOR DYEING SOLVENT-FREE OR SOLVENT CONTAINING PLASTICS SANDOZ LTD. (CH) 1996-04-23 US claimed