SCHEMBL7253222

SCHEMBL7253222

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NAMPT P43490 1/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NR3C1 P04150 2/20 0.47
PANK3 Q9H999 4/20 0.46
ESR2 Q92731 1/20 0.45
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.45
PTPN11 Q06124 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 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
SCHEMBL6698918 0.91 MAPT (0.53) MAPTSMN1; SMN2NAMPTMEN1TSHR
SCHEMBL7258612 0.91 MAPT (0.51) MAPTSMN1; SMN2NAMPTMEN1TSHR
SCHEMBL6695030 0.90 MAPT (0.53) MAPTSMN1; SMN2NAMPTMEN1TSHR
SCHEMBL7253740 0.81 MT-CO2 (0.55) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL5459702 0.81 MAPT (0.63) MAPTSMN1; SMN2NAMPTMEN1TSHR
SCHEMBL6697823 0.81 MAPT (0.53) MAPTSMN1; SMN2NAMPTMEN1TSHR
SCHEMBL7253800 0.80 ALDH1A1 (0.45) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL7253746 0.80 ALDH1A1 (0.45) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL6551583 0.79 MAPT (0.49) MAPTSMN1; SMN2NAMPTMEN1TSHR
SCHEMBL6695066 0.79 MTTP (0.61) MAPTSMN1; SMN2NAMPTMEN1TSHR

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