SCHEMBL7470716

SCHEMBL7470716

COc1ccc(CNc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)cc1OC(=O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 1/20 0.42
PDE5A O76074 3/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 2/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
EGFR P00533 3/20 0.38
ENPP1 P22413 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 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
SCHEMBL7462823 0.91 STAT1 (0.51) STAT1PDE5AKMT2AMEN1KDM4E
SCHEMBL7460966 0.86 STAT1 (0.45) STAT1PDE5AKMT2AMEN1KDM4E
SCHEMBL7463544 0.85 STAT1 (0.43) STAT1PDE5AKMT2AMEN1KDM4E
SCHEMBL7473136 0.84 STAT1 (0.52) STAT1PDE5AKMT2AMEN1KDM4E
SCHEMBL7468739 0.84 PDE5A (0.46) PDE5AKMT2AMEN1KDM4EHTT
SCHEMBL7469504 0.83 SMN1; SMN2 (0.59) PDE5AKMT2AMEN1KDM4EHTT
SCHEMBL7467142 0.83 STAT1 (0.43) STAT1PDE5AKMT2AMEN1KDM4E
SCHEMBL7459198 0.83 MEN1 (0.53) PDE5AKMT2AMEN1KDM4EHTT
SCHEMBL7463395 0.81 HTT (0.55) PDE5AKMT2AMEN1HTTALDH1A1
SCHEMBL7466331 0.80 ALDH1A1 (0.48) PDE5AKMT2AMEN1KDM4EHTT

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