SCHEMBL7466331

SCHEMBL7466331

Cc1ccc(CNc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.46
EGFR P00533 2/20 0.45
HTR6 P50406 2/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
PDE5A O76074 1/20 0.41
KMT2A Q03164 2/20 0.41
WDR5 P61964 1/20 0.41
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
MEN1 O00255 1/20 0.40

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) ALDH1A1HTTEGFRHTR6LMNA
SCHEMBL7464149 0.91 HTR6 (0.44) ALDH1A1HTTHTR6LMNAMAPT
SCHEMBL7463091 0.91 USP10 (0.50) ALDH1A1HTTEGFRHTR6LMNA
SCHEMBL7465445 0.91 HTR6 (0.55) HTTEGFRHTR6TP53KMT2A
SCHEMBL7458928 0.91 EGFR (0.47) ALDH1A1HTTEGFRHTR6LMNA
SCHEMBL7468826 0.91 EGFR (0.56) ALDH1A1HTTKDM4EEGFRHTR6
SCHEMBL7459198 0.90 MEN1 (0.53) ALDH1A1HTTKDM4ENPC1EGFR
SCHEMBL7468699 0.89 PDE5A (0.44) ALDH1A1EGFRHTR6LMNAMAPT
SCHEMBL7525155 0.88 EGFR (0.48) EGFRHTR6LMNAMAPTKMT2A
SCHEMBL7536681 0.88 TDP1 (0.46) EGFRHTR6LMNAMAPTKMT2A

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