SCHEMBL5205791

SCHEMBL5205791

Nc1sc2c(c1C(=O)N1CCCC1)CCCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
MAPT P10636 8/20 0.63
HPGD P15428 8/20 0.63
KDM4E B2RXH2 7/20 0.63
HSD17B10 Q99714 7/20 0.63
USP2 O75604 1/20 0.63
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
ALOX15 P16050 6/20 0.61
MAPK1 P28482 2/20 0.61
RECQL P46063 1/20 0.58
TSHR P16473 2/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
GAA P10253 2/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
KIF11 P52732 2/20 0.49
ADORA1 P30542 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL12057594 0.98 ALDH1A1 (0.64) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL12057608 0.98 ALDH1A1 (0.64) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL14156328 0.82 MEN1 (0.51) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL13151080 0.81 ADORA1 (0.70) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL351385 0.81 ADORA1 (0.55) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL14156287 0.81 ALDH1A1 (0.53) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL2688221 0.78 ALDH1A1 (1.00) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL644159 0.78 ALDH1A1 (0.73) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL8290416 0.76 ALDH1A1 (1.00) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL10713938 0.76 ALDH1A1 (0.71) ALDH1A1MAPTHPGDKDM4EHSD17B10

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
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed