SCHEMBL7066635

SCHEMBL7066635

N#Cc1ccc(CN2CCN(c3ccc(N)cc3)CC2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
GFER P55789 4/20 0.48
GAA P10253 4/20 0.48
KDM4E B2RXH2 3/20 0.48
RAD52 P43351 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA2C P18825 1/20 0.41
PTK2B Q14289 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 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
SCHEMBL7066632 0.84 MEN1 (0.46) GFERALDH1A1HTTKMT2AMEN1
SCHEMBL7254043 0.79 GFER (0.74) MAPTGFERGAAKDM4ERAD52
SCHEMBL11626204 0.75 L3MBTL1 (0.60) MAPTGFERGAAKDM4ERAD52
SCHEMBL6695193 0.71 ALDH1A1 (0.53) MAPTGFERGAAKDM4ERAD52
SCHEMBL6703230 0.71 MAPT (0.61) MAPTGFERGAAKDM4ERAD52
SCHEMBL7066700 0.71 DRD4 (0.54) MAPTGFERGAAKDM4ERAD52
SCHEMBL6647499 0.69 CYP17A1 (0.51) MAPTGFERGAAKDM4ERAD52
SCHEMBL22495230 0.69 KDM4E (0.67) MAPTGFERGAAKDM4ERAD52
SCHEMBL12006115 0.69 MAPT (0.57) MAPTGFERGAAKDM4ERAD52
SCHEMBL31349314 0.69 POLB (0.57) GFERKDM4ETP53POLBL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003047575-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO claimed
WO-2003048121-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO claimed
WO-2003047575-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO disclosed
WO-2003048121-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO disclosed