SCHEMBL6699680

SCHEMBL6699680

CCOc1ccc(N2C(=O)C(C)N(c3ccc(N4CCOCC4)cc3)C2=S)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
THRB P10828 1/20 0.50
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RECQL P46063 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 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
SCHEMBL6703990 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6704507 0.84 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6702824 0.83 KIF11 (0.53) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL6704097 0.83 KIF11 (0.53) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL6703556 0.82 MAPT (0.46) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL6703729 0.82 PARP1 (0.42) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL6702073 0.82 RAD51 (0.49) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL6699022 0.82 KIF11 (0.54) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6705448 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL6701909 0.79 MAPT (0.59) ALDH1A1MAPK1MAPTMEN1KMT2A

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