SCHEMBL7464180

SCHEMBL7464180

CN1CCN(c2cc3ncnc(N(C)c4ccco4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 4/20 0.39
PKM P14618 1/20 0.39
HTR6 P50406 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
S100A4 P26447 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7468270 0.90 MAPT (0.40) ACHEBACE1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7475558 0.87 MAPT (0.43) ACHEBACE1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7459986 0.82 ALDH1A1 (0.41) ACHEBACE1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7467291 0.80 EGFR (0.44) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL7464189 0.76 MAPT (0.56) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL7475788 0.73 MAPT (0.40) ACHEBACE1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7469778 0.72 MAPT (0.45) ACHEBACE1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2482193 0.71 HTR6 (0.56) MAPTALDH1A1HTR6MAPK1L3MBTL1
SCHEMBL7470183 0.71 MAPT (0.42) ACHEBACE1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7468284 0.71 MAPT (0.43) ACHEBACE1MAPTSMN1; SMN2ALDH1A1

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