SCHEMBL8611070

SCHEMBL8611070

CCNc1nc(NCC)nc(N2CCCCC2)n1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.79
KMT2A Q03164 5/20 0.79
LMNA P02545 4/20 0.79
NPSR1 Q6W5P4 2/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 2/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GBA1 P04062 3/20 0.49
POLB P06746 1/20 0.49
GAA P10253 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
SCHEMBL9913696 0.98 MEN1 (0.76) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL13784260 0.91 MEN1 (0.68) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL11145527 0.90 LMNA (0.65) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL7774642 0.82 LMNA (0.73) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL8054495 0.81 ALDH1A1 (0.78) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL9913727 0.80 LMNA (0.75) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL4132657 0.80 LMNA (0.76) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL8050942 0.80 LMNA (0.69) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL8052164 0.78 GBA1 (0.75) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL11507545 0.78 PDE4A (0.62) MEN1KMT2ALMNANPSR1SMN1; SMN2

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-0834523-A1 EPOXY/ACID ANHYDRIDE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-04-08 EP disclosed