SCHEMBL7465445

SCHEMBL7465445

O=[N+]([O-])c1cc2c(NCc3ccc(Cl)cc3)ncnc2cc1N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.55
MAPK1 P28482 1/20 0.48
EGFR P00533 3/20 0.45
WDR5 P61964 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.42
TP53 P04637 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
SCHEMBL7475684 0.92 EGFR (0.53) HTR6EGFRWDR5KMT2AHTT
SCHEMBL7471116 0.91 HTT (0.52) HTR6WDR5KMT2AHTTCNR1
SCHEMBL7466331 0.91 ALDH1A1 (0.48) HTR6EGFRWDR5KMT2AHTT
SCHEMBL7463091 0.91 USP10 (0.50) HTR6EGFRHTTCNR1CNR2
SCHEMBL7458928 0.91 EGFR (0.47) HTR6EGFRWDR5KMT2AHTT
SCHEMBL7468826 0.91 EGFR (0.56) HTR6MAPK1EGFRHTT
SCHEMBL7468699 0.89 PDE5A (0.44) HTR6MAPK1EGFRWDR5KMT2A
SCHEMBL7465224 0.89 MAPT (0.44) HTR6EGFRWDR5KMT2A
SCHEMBL7525155 0.88 EGFR (0.48) HTR6EGFRKMT2ACNR1
SCHEMBL7459198 0.88 MEN1 (0.53) MAPK1EGFRKMT2AHTT

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