SCHEMBL7463152

SCHEMBL7463152

CC(=O)N1CCN(c2cc3ncnc(NCCc4ccc(Cl)cc4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
NR2F2 P24468 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
P2RX3 P56373 1/20 0.44
CLK1 P49759 1/20 0.43
CDK1 P06493 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NTRK1 P04629 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR174 Q9BXC1 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7465454 0.92 ACHE (0.47) HTTPDGFRBP2RX3CDK1MAPT
SCHEMBL7474097 0.90 HRH4 (0.56) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7470182 0.88 HTT (0.50) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7466405 0.87 HTT (0.48) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7470593 0.86 HTT (0.50) HTTPDGFRBPDGFRANR2F2HRH4
SCHEMBL7471116 0.86 HTT (0.52) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7470615 0.85 HTT (0.50) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7466801 0.83 HTT (0.48) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7469787 0.83 HTT (0.48) HTTNR2F2HRH4CNR1CNR2
SCHEMBL7467456 0.83 EGFR (0.52) HTTPDGFRBMAPTALDH1A1LMNA

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