SCHEMBL6703684

SCHEMBL6703684

COc1ccc(N2C(=O)C(C)N(c3ccc(N4CCOCC4)cc3)C2=S)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
MAPT P10636 9/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PKM P14618 1/20 0.46
GAA P10253 5/20 0.46
ALOX15 P16050 4/20 0.46
ALOX12 P18054 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
RECQL P46063 1/20 0.46
HIF1A Q16665 2/20 0.45
HPGD P15428 5/20 0.44
POLB P06746 2/20 0.44
THRB P10828 1/20 0.44
MCHR1 Q99705 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL6701909 0.86 MAPT (0.59) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6703990 0.85 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6705000 0.83 MAPT (0.61) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6703161 0.82 RAD51 (0.50) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6702824 0.81 KIF11 (0.53) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL6704097 0.81 KIF11 (0.53) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL6704444 0.81 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL6703155 0.81 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL6699022 0.80 KIF11 (0.54) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6703556 0.80 MAPT (0.46) ALDH1A1MAPTMEN1KMT2AGAA

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
US-20040116417-A1 Thiohydantoins and use thereof for treating diabetes LABORATOIRES FOURNIER SA (FR) 2004-06-17 US disclosed