SCHEMBL7469030

SCHEMBL7469030

CCN1CCN(c2cc3ncnc(NCCc4cccs4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
PIK3CA P42336 1/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 5/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
PKM P14618 1/20 0.37
CLK4 Q9HAZ1 5/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DYRK1A Q13627 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7476281 0.93 HRH4 (0.51) WDR5KMT2AHRH4PIK3CAMAPT
SCHEMBL7464425 0.89 HRH4 (0.41) KMT2AHRH4PIK3CAMAPTLMNA
SCHEMBL7462496 0.89 WDR5 (0.40) WDR5KMT2AHRH4PIK3CAMAPT
SCHEMBL7470159 0.87 HRH4 (0.41) KMT2AHRH4PIK3CAMAPTLMNA
SCHEMBL7471194 0.87 MAPK1 (0.48) WDR5KMT2AHRH4PIK3CAMAPT
SCHEMBL7476400 0.86 MAPT (0.41) WDR5KMT2AHRH4PIK3CAMAPT
SCHEMBL7459991 0.84 LMNA (0.52) KMT2AHRH4MAPTLMNAMAPK1
SCHEMBL7470182 0.84 HTT (0.50) WDR5KMT2AHRH4PIK3CAMAPT
SCHEMBL7475796 0.80 LMNA (0.49) KMT2AMAPTLMNAMAPK1ALDH1A1
SCHEMBL7467307 0.80 EGFR (0.52) KMT2AHRH4MAPTLMNAMAPK1

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