SCHEMBL7469504

SCHEMBL7469504

COc1ccc(CCNc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
MAPK1 P28482 4/20 0.59
MEN1 O00255 1/20 0.59
STAT3 P40763 1/20 0.59
KMT2A Q03164 1/20 0.59
APP P05067 1/20 0.52
MAPT P10636 5/20 0.49
HTT P42858 4/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
TSHR P16473 2/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
GALR3 O60755 2/20 0.47
NR2F2 P24468 2/20 0.47
PDE5A O76074 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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 0.92 STAT1 (0.51) SMN1; SMN2MAPK1MEN1STAT3KMT2A
SCHEMBL7471138 0.90 MAPT (0.45) SMN1; SMN2MAPK1MEN1STAT3KMT2A
SCHEMBL7467721 0.88 MEN1 (0.45) SMN1; SMN2MAPK1MEN1STAT3KMT2A
SCHEMBL7464149 0.87 HTR6 (0.44) SMN1; SMN2MAPK1MEN1STAT3KMT2A
SCHEMBL7464822 0.87 ACHE (0.46) SMN1; SMN2MAPK1MEN1STAT3KMT2A
SCHEMBL7460966 0.86 STAT1 (0.45) SMN1; SMN2MAPK1MEN1STAT3KMT2A
SCHEMBL7466302 0.86 HTT (0.45) SMN1; SMN2MAPK1MEN1STAT3KMT2A
SCHEMBL7472747 0.85 HTT (0.49) MAPK1KMT2AMAPTHTTRAB9A
SCHEMBL7469384 0.85 HTT (0.46) SMN1; SMN2MAPK1MEN1STAT3KMT2A
SCHEMBL7471116 0.85 HTT (0.52) MEN1KMT2AMAPTHTTNR2F2

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