SCHEMBL7467142

SCHEMBL7467142

COc1cc(CNc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)ccc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 1/20 0.43
HTT P42858 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE5A O76074 1/20 0.41
MAPK1 P28482 3/20 0.41
EGFR P00533 4/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
LCK P06239 1/20 0.40
EPHA2 P29317 1/20 0.39
KDR P35968 1/20 0.39
EPHB4 P54760 1/20 0.39
RAF1 P04049 1/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7463544 0.97 STAT1 (0.43) STAT1HTTMEN1KMT2AKDM4E
SCHEMBL7462823 0.92 STAT1 (0.51) STAT1HTTMEN1KMT2AKDM4E
SCHEMBL7460966 0.88 STAT1 (0.45) STAT1HTTMEN1KMT2AKDM4E
SCHEMBL7470639 0.84 STAT1 (0.52) STAT1HTTMEN1KMT2AKDM4E
SCHEMBL7468739 0.84 PDE5A (0.46) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7469504 0.84 SMN1; SMN2 (0.59) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7459198 0.83 MEN1 (0.53) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7470716 0.83 STAT1 (0.42) STAT1HTTMEN1KMT2AKDM4E
SCHEMBL7463395 0.81 HTT (0.55) HTTMEN1KMT2AALDH1A1PDE5A
SCHEMBL7466553 0.81 STAT1 (0.52) STAT1HTTMEN1KMT2AKDM4E

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