SCHEMBL6473010

SCHEMBL6473010

CC=CC(=O)c1ccc(SC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 3/20 0.60
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.60
RAB9A P51151 2/20 0.60
GAA P10253 2/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
NPC1 O15118 1/20 0.58
NFKB1 P19838 1/20 0.58
HTT P42858 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6473007 1.00 MAPT (0.60) MAPTLMNAMEN1ALDH1A1KMT2A
SCHEMBL28482063 0.82 THRB (0.46) MAPTLMNAMEN1ALDH1A1KMT2A
SCHEMBL9915661 0.81 MAPT (0.87) MAPTLMNAMEN1ALDH1A1KMT2A
SCHEMBL11815668 0.81 MAPT (0.87) MAPTLMNAMEN1ALDH1A1KMT2A
SCHEMBL11815663 0.81 MAPT (0.87) MAPTLMNAMEN1ALDH1A1KMT2A
SCHEMBL22894912 0.79 MAPT (0.64) MAPTLMNAMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11816321 0.79 MAPT (0.84) MAPTLMNAMEN1ALDH1A1KMT2A
SCHEMBL20714497 0.79 MAPT (0.55) MAPTLMNAMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11816315 0.79 MAPT (0.84) MAPTLMNAMEN1ALDH1A1KMT2A
SCHEMBL3047673 0.79 PLK1 (0.59) MAPTLMNAMEN1ALDH1A1KMT2A

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-2005046650-A1 PHARMACEUTICAL FORMULATION CONTAINING MUSCLE RELAXANT AND COX-II INHIBITOR GLENMARK PHARMACEUTICALS LIMITED (US) 2005-05-26 WO disclosed