SCHEMBL7466801

SCHEMBL7466801

O=[N+]([O-])c1cc2c(NCCc3ccc(Cl)cc3)ncnc2cc1N1CCCNCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
HTR6 P50406 3/20 0.44
NR2F2 P24468 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
KMT2A Q03164 2/20 0.41
WDR5 P61964 1/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDK1 P06493 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
SCHEMBL7471116 0.97 HTT (0.52) HTTHTR6NR2F2HRH4TTBK1
SCHEMBL7469367 0.92 MAPT (0.44) HTTHTR6KMT2AWDR5MAPT
SCHEMBL7467064 0.92 HTR6 (0.52) HTTHTR6CNR1CNR2MAPT
SCHEMBL7466302 0.89 HTT (0.45) HTTHTR6NR2F2KMT2AWDR5
SCHEMBL7472747 0.88 HTT (0.49) HTTHTR6NR2F2TTBK1TTBK2
SCHEMBL7469384 0.88 HTT (0.46) HTTHTR6KMT2AWDR5MAPT
SCHEMBL7464149 0.88 HTR6 (0.44) HTTHTR6HRH4KMT2AWDR5
SCHEMBL7465445 0.88 HTR6 (0.55) HTTHTR6CNR1CNR2KMT2A
SCHEMBL7466158 0.88 HTR6 (0.55) HTTHTR6CNR1CNR2MAPT
SCHEMBL7470023 0.87 HTR6 (0.44) HTTHTR6NR2F2HRH4CNR1

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