SCHEMBL7474860

SCHEMBL7474860

O=[N+]([O-])c1cc2c(Nc3ccc4c(c3)OCO4)ncnc2cc1N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.53
PRMT1 Q99873 1/20 0.47
SRC P12931 3/20 0.46
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 1/20 0.44
EGFR P00533 8/20 0.43
WDR5 P61964 1/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
ABL1 P00519 2/20 0.43
PDGFRB P09619 2/20 0.43

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
SCHEMBL7473397 0.85 PDE5A (0.59) KMT2AMEN1ALDH1A1
SCHEMBL7459033 0.84 MAPT (0.46) KMT2AMAPTALDH1A1LMNAEGFR
SCHEMBL7473037 0.84 SRC (0.49) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL7469494 0.82 PDE5A (0.46) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL7465985 0.82 PDE5A (0.55) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL7467801 0.81 EGFR (0.63) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL7468081 0.80 KMT2A (0.42) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL7468592 0.80 PDE5A (0.52) KMT2AMEN1ALDH1A1
SCHEMBL7466525 0.79 MAPT (0.47) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL7469209 0.76 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1HTT

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