SCHEMBL7470182

SCHEMBL7470182

CCN1CCN(c2cc3ncnc(NCCc4ccc(Cl)cc4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.50
HRH4 Q9H3N8 1/20 0.47
WDR5 P61964 1/20 0.46
KMT2A Q03164 1/20 0.46
NR2F2 P24468 1/20 0.45
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
PDE5A O76074 1/20 0.41
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
PIK3CA P42336 1/20 0.40

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
SCHEMBL7474097 0.91 HRH4 (0.56) HTTHRH4WDR5KMT2ANR2F2
SCHEMBL7471194 0.91 MAPK1 (0.48) HTTHRH4WDR5KMT2ACNR1
SCHEMBL7466405 0.90 HTT (0.48) HTTHRH4KMT2ANR2F2CNR1
SCHEMBL7463152 0.88 HTT (0.48) HTTHRH4KMT2ANR2F2CNR1
SCHEMBL7470593 0.88 HTT (0.50) HTTHRH4KMT2ANR2F2CNR1
SCHEMBL7471116 0.88 HTT (0.52) HTTHRH4WDR5KMT2ANR2F2
SCHEMBL7470615 0.86 HTT (0.50) HTTHRH4KMT2ANR2F2CNR1
SCHEMBL7469787 0.85 HTT (0.48) HTTHRH4KMT2ANR2F2CNR1
SCHEMBL7466801 0.85 HTT (0.48) HTTHRH4WDR5KMT2ANR2F2
SCHEMBL7469030 0.84 WDR5 (0.44) HTTHRH4WDR5KMT2AMAPT

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