SCHEMBL7466405

SCHEMBL7466405

O=[N+]([O-])c1cc2c(NCCc3ccc(Cl)cc3)ncnc2cc1N1CCN(CCO)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
NR2F2 P24468 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
ALDH1A1 P00352 2/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
PIK3CA P42336 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NTRK1 P04629 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39

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
SCHEMBL7470182 0.90 HTT (0.50) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7474097 0.90 HRH4 (0.56) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7463152 0.87 HTT (0.48) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7470593 0.86 HTT (0.50) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7471116 0.86 HTT (0.52) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7470615 0.85 HTT (0.50) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7469787 0.83 HTT (0.48) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7466801 0.83 HTT (0.48) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7467033 0.83 EGFR (0.52) HTTALDH1A1MAPTKDM4E
SCHEMBL7464890 0.81 HRH4 (0.48) HTTHRH4ALDH1A1PIK3CAMEN1

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-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed