SCHEMBL7474097

SCHEMBL7474097

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.56
HTT P42858 4/20 0.52
HTR3A P46098 1/20 0.47
HTR6 P50406 2/20 0.46
NR2F2 P24468 1/20 0.46
CDK1 P06493 2/20 0.46
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
WDR5 P61964 1/20 0.43
KMT2A Q03164 1/20 0.43
EIF2AK2 P19525 1/20 0.42
PDE5A O76074 1/20 0.42
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
MAP4K2 Q12851 1/20 0.41
HASPIN Q8TF76 1/20 0.41
CDK19 Q9BWU1 1/20 0.41

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 0.91 HTT (0.50) HRH4HTTNR2F2CNR1CNR2
SCHEMBL7464890 0.91 HRH4 (0.48) HRH4HTTHTR6CDK1WDR5
SCHEMBL7465055 0.91 HTR6 (0.55) HRH4HTTHTR3AHTR6CDK1
SCHEMBL7463152 0.90 HTT (0.48) HRH4HTTNR2F2CDK1CNR1
SCHEMBL7466405 0.90 HTT (0.48) HRH4HTTNR2F2CNR1CNR2
SCHEMBL7470593 0.90 HTT (0.50) HRH4HTTHTR3ANR2F2CNR1
SCHEMBL7471116 0.89 HTT (0.52) HRH4HTTHTR6NR2F2CNR1
SCHEMBL7470615 0.88 HTT (0.50) HRH4HTTNR2F2CDK1CNR1
SCHEMBL7469787 0.86 HTT (0.48) HRH4HTTNR2F2CNR1CNR2
SCHEMBL7466801 0.86 HTT (0.48) HRH4HTTHTR6NR2F2CDK1

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