SCHEMBL7469735

SCHEMBL7469735

CN(Cc1ccccc1)c1ncnc2cc(N3CCNCC3)c([N+](=O)[O-])cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PIK3CD O00329 1/20 0.47
PIK3R1 P27986 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CSF1R P07333 2/20 0.41
MAPT P10636 5/20 0.41
HTR6 P50406 2/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
POLB P06746 2/20 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
SCHEMBL7462130 0.91 MAPT (0.42) LMNASMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL7459038 0.82 MAPT (0.43) LMNASMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL7469778 0.81 MAPT (0.45) LMNASMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL7470183 0.80 MAPT (0.42) LMNASMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL7468826 0.79 EGFR (0.56) LMNASMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL7474845 0.79 LMNA (0.55) LMNASMN1; SMN2PIK3CDPIK3R1HTT
SCHEMBL7468270 0.79 MAPT (0.40) LMNASMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL7475788 0.79 MAPT (0.40) LMNASMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL7476091 0.78 ACHE (0.54) LMNASMN1; SMN2HTTHIF1AALDH1A1
SCHEMBL7466158 0.78 HTR6 (0.55) LMNASMN1; SMN2PIK3CDPIK3R1HTT

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