SCHEMBL6703729

SCHEMBL6703729

CC1C(=O)N(c2ccc(N)cc2)C(=S)N1c1ccc(N2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
KIF11 P52732 2/20 0.41
MAPT P10636 10/20 0.41
ALDH1A1 P00352 9/20 0.41
GAA P10253 7/20 0.40
ALOX12 P18054 2/20 0.40
GFER P55789 3/20 0.40
CASP6 P55212 1/20 0.40
KDM4E B2RXH2 5/20 0.38
KMT2A Q03164 3/20 0.38
ADRA2C P18825 1/20 0.38
PTK2B Q14289 1/20 0.38
ESR2 Q92731 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LGMN Q99538 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6704097 0.89 KIF11 (0.53) PARP1KIF11MAPTALDH1A1GAA
SCHEMBL6702824 0.89 KIF11 (0.53) PARP1KIF11MAPTALDH1A1GAA
SCHEMBL6699022 0.88 KIF11 (0.54) PARP1KIF11MAPTALDH1A1GAA
SCHEMBL6703556 0.88 MAPT (0.46) PARP1KIF11MAPTALDH1A1GAA
SCHEMBL6702073 0.88 RAD51 (0.49) PARP1KIF11MAPTALDH1A1GAA
SCHEMBL6703990 0.85 ALDH1A1 (0.51) MAPTALDH1A1GAAALOX12KDM4E
SCHEMBL6705448 0.85 ALDH1A1 (0.42) PARP1KIF11MAPTALDH1A1GAA
SCHEMBL6704313 0.83 AKR1C3 (0.50) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL6699680 0.82 ALDH1A1 (0.54) MAPTALDH1A1GAAALOX12KMT2A
SCHEMBL6704507 0.82 ALDH1A1 (0.46) KIF11MAPTALDH1A1GAAALOX12

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