SCHEMBL8544714

SCHEMBL8544714

c1ccc(CCCNc2nc(NCCCc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.72
ACHE P22303 8/20 0.72
BCHE P06276 6/20 0.72
CASP6 P55212 1/20 0.68
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C19 P33261 1/20 0.65
RAD52 P43351 1/20 0.65
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
PKM P14618 1/20 0.63
UBE2N P61088 1/20 0.63
KMT2A Q03164 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
RCE1 Q9Y256 1/20 0.63
GBA1 P04062 1/20 0.60
SLC2A1 P11166 1/20 0.59

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
SCHEMBL23747984 0.84 APP (0.76) APPACHEBCHERAD52MAPT
SCHEMBL11735120 0.83 CASP6 (0.84) APPACHEBCHECASP6RAD52
SCHEMBL11734758 0.83 CASP6 (0.62) APPACHEBCHECASP6RAD52
SCHEMBL8547756 0.81 APP (0.76) APPACHEBCHECASP6GBA1
SCHEMBL21055812 0.81 APP (0.79) APPACHEBCHECASP6RAD52
SCHEMBL16280667 0.80 CASP6 (0.92) APPACHEBCHECASP6RAD52
SCHEMBL8892633 0.80 RAD52 (0.76) APPACHEBCHECASP6RAD52
SCHEMBL23748935 0.80 ACHE (0.68) APPACHEBCHECASP6RAD52
SCHEMBL23748931 0.80 ACHE (0.61) APPACHEBCHECASP6RAD52
SCHEMBL4866885 0.79 GBA1 (0.59) APPACHEBCHECASP6CYP1A2

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-0326329-B1 Quinazoline derivatives useful as insecticides. DOW AGROSCIENCES LLC (US) 1998-10-28 EP disclosed