SCHEMBL7464197

SCHEMBL7464197

O=[N+]([O-])c1cc2c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ncnc2cc1N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 5/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GPR174 Q9BXC1 4/20 0.46
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
GBA1 P04062 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 6/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL7468677 0.92 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1GAAKDM4EUSP2
SCHEMBL7469281 0.85 PDGFRB (0.51) SMN1; SMN2ALDH1A1GAAKDM4EUSP2
SCHEMBL7462225 0.83 MAPT (0.55) SMN1; SMN2ALDH1A1USP2HSD17B10L3MBTL1
SCHEMBL7471664 0.83 CNR1 (0.55) GPR174
SCHEMBL7462233 0.82 ACHE (0.45) SMN1; SMN2ALDH1A1GAAUSP2HSD17B10
SCHEMBL7464038 0.80 ACHE (0.55) SMN1; SMN2ALDH1A1L3MBTL1ACHEBACE1
SCHEMBL7470741 0.79 MAPT (0.42) SMN1; SMN2ALDH1A1GAAUSP2ACHE
SCHEMBL7475891 0.77 ACHE (0.54) ALDH1A1KDM4EUSP2HSD17B10ACHE
SCHEMBL7459033 0.77 MAPT (0.46) SMN1; SMN2ALDH1A1GAAMAPTLMNA
SCHEMBL7476091 0.76 ACHE (0.54) SMN1; SMN2ALDH1A1KDM4EACHEBACE1

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