SCHEMBL11564141

SCHEMBL11564141

CC(C)Nc1nc(NC(C)C)nc(N2CCCCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
LMNA P02545 6/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
NPSR1 Q6W5P4 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 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
SCHEMBL9741920 0.83 HRH1 (0.55) MAPK1LMNAKMT2AALDH1A1CYP1A2
SCHEMBL11507545 0.79 PDE4A (0.62) MAPK1LMNAKMT2AMEN1ALDH1A1
SCHEMBL14503298 0.79 ALDH1A1 (0.66) LMNAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL14503306 0.77 LMNA (0.49) MAPK1LMNAKMT2AMEN1ALDH1A1
SCHEMBL8041736 0.75 GAA (0.74) MAPK1LMNAKMT2AMEN1ALDH1A1
SCHEMBL8611070 0.74 MEN1 (0.79) MAPK1LMNAKMT2AMEN1ALDH1A1
SCHEMBL10726668 0.74 KMT2A (0.89) MAPK1LMNAKMT2AMEN1ALDH1A1
SCHEMBL11811366 0.74 KMT2A (0.51) MAPK1LMNAKMT2AMEN1ALDH1A1
SCHEMBL11208162 0.72 SMN1; SMN2 (0.71) MAPK1LMNAKMT2AMEN1ALDH1A1
SCHEMBL9913696 0.72 MEN1 (0.76) MAPK1LMNAKMT2AMEN1ALDH1A1

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-0002269-A1 Composition and use of this composition as a stabilizer in lubricating oils, and product obtained The B.F. GOODRICH Company (US) 1979-06-13 EP disclosed