SCHEMBL7463544

SCHEMBL7463544

COc1ccc(CNc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
PDE5A O76074 2/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHA2 P29317 1/20 0.39
KDR P35968 1/20 0.39
EPHB4 P54760 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 0.39
BACE1 P56817 1/20 0.39
EGFR P00533 3/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TNF P01375 1/20 0.38
NOD1 Q9Y239 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
SCHEMBL7467142 0.97 STAT1 (0.43) STAT1MEN1KMT2AHTTKDM4E
SCHEMBL7462823 0.92 STAT1 (0.51) STAT1MEN1KMT2AHTTKDM4E
SCHEMBL7460966 0.86 STAT1 (0.45) STAT1MEN1KMT2AHTTKDM4E
SCHEMBL7470716 0.85 STAT1 (0.42) STAT1MEN1KMT2AHTTKDM4E
SCHEMBL7466553 0.84 STAT1 (0.52) STAT1MEN1KMT2AHTTKDM4E
SCHEMBL7468739 0.84 PDE5A (0.46) MEN1KMT2AHTTKDM4EPDE5A
SCHEMBL7469504 0.84 SMN1; SMN2 (0.59) MEN1KMT2AHTTKDM4EPDE5A
SCHEMBL7459198 0.83 MEN1 (0.53) MEN1KMT2AHTTKDM4EPDE5A
SCHEMBL7463395 0.81 HTT (0.55) MEN1KMT2AHTTPDE5AALDH1A1
SCHEMBL7470639 0.81 STAT1 (0.52) STAT1MEN1KMT2AHTTKDM4E

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