SCHEMBL7470183

SCHEMBL7470183

CN(c1cccc2ccccc12)c1ncnc2cc(N3CCNCC3)c([N+](=O)[O-])cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
ALDH1A1 P00352 6/20 0.40
POLB P06746 1/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
NCF1 P14598 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
MTOR P42345 1/20 0.39
HTR3A P46098 1/20 0.39
HTR5A P47898 1/20 0.39

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
SCHEMBL7469778 0.84 MAPT (0.45) MAPTALDH1A1POLBACHEBACE1
SCHEMBL7475788 0.81 MAPT (0.40) MAPTALDH1A1POLBACHEBACE1
SCHEMBL7468270 0.81 MAPT (0.40) MAPTALDH1A1POLBACHEBACE1
SCHEMBL7469735 0.80 LMNA (0.47) MAPTALDH1A1POLBACHEBACE1
SCHEMBL7469896 0.80 EGFR (0.46) MAPTALDH1A1SIGMAR1LMNA
SCHEMBL7459038 0.79 MAPT (0.43) MAPTALDH1A1ACHEBACE1HTR6
SCHEMBL7475558 0.78 MAPT (0.43) MAPTALDH1A1ACHEBACE1NCF1
SCHEMBL7468284 0.78 MAPT (0.43) MAPTALDH1A1POLBACHEBACE1
SCHEMBL7462130 0.78 MAPT (0.42) MAPTALDH1A1ACHEBACE1CYP1A2
SCHEMBL7470191 0.76 EGFR (0.48) MAPTACHEHTR6KMT2A

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