SCHEMBL7466302

SCHEMBL7466302

O=[N+]([O-])c1cc2c(NCCc3ccc(Br)cc3)ncnc2cc1N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.45
HTR6 P50406 1/20 0.45
KMT2A Q03164 2/20 0.40
WDR5 P61964 1/20 0.40
CDK1 P06493 3/20 0.40
EGFR P00533 2/20 0.39
PDE5A O76074 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NR2F2 P24468 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
SCHEMBL7471116 0.92 HTT (0.52) HTTHTR6KMT2AWDR5PDE5A
SCHEMBL7472747 0.92 HTT (0.49) HTTHTR6KMT2AWDR5CDK1
SCHEMBL7469384 0.92 HTT (0.46) HTTHTR6KMT2AWDR5CDK1
SCHEMBL7464149 0.92 HTR6 (0.44) HTTHTR6KMT2AWDR5CDK1
SCHEMBL7466158 0.92 HTR6 (0.55) HTTHTR6EGFRMAPTLMNA
SCHEMBL7473892 0.91 HTR6 (0.45) HTTHTR6KMT2AWDR5CDK1
SCHEMBL7471138 0.90 MAPT (0.45) HTR6KMT2APDE5AMAPTLMNA
SCHEMBL7466801 0.89 HTT (0.48) HTTHTR6KMT2AWDR5CDK1
SCHEMBL7469367 0.89 MAPT (0.44) HTTHTR6KMT2AWDR5CDK1
SCHEMBL7467064 0.89 HTR6 (0.52) HTTHTR6EGFRMAPTLMNA

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