SCHEMBL7470593

SCHEMBL7470593

O=CN1CCN(c2cc3ncnc(NCCc4ccc(Cl)cc4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
HRH4 Q9H3N8 2/20 0.45
NR2F2 P24468 1/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE5A O76074 1/20 0.39
NTRK1 P04629 1/20 0.39
MAPK1 P28482 1/20 0.39
DNMT1 P26358 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
HTR3A P46098 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL7458966 0.92 MAPK1 (0.47) HTTHRH4CNR1CNR2PIK3CD
SCHEMBL7470693 0.91 HTT (0.45) HTTHRH4NR2F2MEN1MAPT
SCHEMBL7474097 0.90 HRH4 (0.56) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7470182 0.88 HTT (0.50) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7471116 0.88 HTT (0.52) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7466405 0.86 HTT (0.48) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7463152 0.86 HTT (0.48) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7470615 0.86 HTT (0.50) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7469787 0.85 HTT (0.48) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7466801 0.85 HTT (0.48) HTTHRH4NR2F2CNR1CNR2

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