SCHEMBL7471194

SCHEMBL7471194

CCN1CCN(c2cc3ncnc(NCCc4ccccc4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
EGFR P00533 3/20 0.45
LMNA P02545 3/20 0.45
APP P05067 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTR6 P50406 1/20 0.44
WDR5 P61964 1/20 0.43
KMT2A Q03164 1/20 0.43
CCNC P24863 1/20 0.43
CDKN1A P38936 1/20 0.43
CDK8 P49336 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
AURKA O14965 2/20 0.41
FYN P06241 1/20 0.41
SRC P12931 1/20 0.41
ACHE P22303 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
SCHEMBL7470182 0.91 HTT (0.50) LMNAHTTMAPTWDR5KMT2A
SCHEMBL7465055 0.91 HTR6 (0.55) MAPK1EGFRLMNAAPPHTT
SCHEMBL7458966 0.88 MAPK1 (0.47) MAPK1EGFRLMNAAPPHTT
SCHEMBL7465454 0.88 ACHE (0.47) MAPK1EGFRLMNAAPPHTT
SCHEMBL7466158 0.87 HTR6 (0.55) MAPK1EGFRLMNAAPPHTT
SCHEMBL7469030 0.87 WDR5 (0.44) MAPK1LMNAHTTMAPTNPC1
SCHEMBL7468943 0.86 MAPK1 (0.46) MAPK1EGFRLMNAAPPHTT
SCHEMBL7467064 0.84 HTR6 (0.52) MAPK1EGFRLMNAAPPHTT
SCHEMBL7463399 0.84 PRKCQ (0.49) MAPK1EGFRLMNAAPPHTT
SCHEMBL7474097 0.82 HRH4 (0.56) HTTHTR6WDR5KMT2ACCNC

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