SCHEMBL5504022

SCHEMBL5504022

CCCCOC(=O)NC(CC(=O)O)c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.41
FAAH O00519 3/20 0.40
LMNA P02545 2/20 0.40
CTSK P43235 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 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
SCHEMBL844472 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL14040614 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL2015729 0.82 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL5085765 0.81 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL4097623 0.80 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL4265545 0.80 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL16680706 0.80 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL3663293 0.80 FAAH (0.58) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL2320404 0.80 FAAH (0.59) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL5181827 0.80 KMT2A (0.53) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed