SCHEMBL7258378

SCHEMBL7258378

CC(C)c1ccc(-c2c(C(=O)Nc3ccc(N4CCN(Cc5cccnc5)CC4)cc3)cccc2C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 2/20 0.54
ABCB1 P08183 3/20 0.49
CYP3A4 P08684 3/20 0.49
TSHR P16473 1/20 0.48
NAMPT P43490 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR3C1 P04150 1/20 0.47
POLB P06746 1/20 0.46
HIF1A Q16665 3/20 0.45
EPAS1 Q99814 3/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPY2R P49146 1/20 0.45
NR4A1 P22736 1/20 0.45

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
SCHEMBL7256859 0.85 MAPT (0.47) MAPTSMN1; SMN2MAPK1TSHRHSD17B10
SCHEMBL7253240 0.83 NR4A1 (0.44) MAPTSMN1; SMN2MAPK1TSHRPOLB
SCHEMBL7253800 0.83 ALDH1A1 (0.45) MAPTSMN1; SMN2MAPK1TSHRNR3C1
SCHEMBL7253740 0.83 MT-CO2 (0.55) MAPTSMN1; SMN2MAPK1TSHRPOLB
SCHEMBL7253746 0.81 ALDH1A1 (0.45) MAPTSMN1; SMN2MAPK1TSHRPOLB
SCHEMBL6944856 0.76 MAPT (0.47) MAPTSMN1; SMN2MAPK1ABCB1CYP3A4
SCHEMBL7253222 0.76 MAPT (0.51) MAPTSMN1; SMN2MAPK1TSHRNAMPT
SCHEMBL6702911 0.74 L3MBTL1 (0.48) RAB9A
SCHEMBL7256854 0.73 MAPKAPK2 (0.42) MAPTMAPK1TSHRKDM4EHIF1A
SCHEMBL6698288 0.73 L3MBTL1 (0.60) MAPTSMN1; SMN2RAB9A

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