SCHEMBL5791773

SCHEMBL5791773

CCC[C@@H](NC(=O)c1nc(-c2ccccc2)cs1)Oc1ccc(C(=O)NO)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.49
MASP2 O00187 1/20 0.47
F2 P00734 1/20 0.47
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SCD O00767 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
CTSK P43235 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL445219 1.00 ADORA3 (0.49) ADORA3MASP2F2MAPTSMN1; SMN2
SCHEMBL442928 0.82 MASP2 (0.50) ADORA3MASP2F2MAPTSMN1; SMN2
SCHEMBL442927 0.82 MASP2 (0.50) ADORA3MASP2F2MAPTSMN1; SMN2
SCHEMBL447511 0.82 MASP2 (0.50) ADORA3MASP2F2MAPTSMN1; SMN2
SCHEMBL443730 0.82 TAS1R3 (0.50) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL445220 0.80 ADORA3 (0.49) ADORA3MASP2F2MAPTSMN1; SMN2
SCHEMBL442961 0.77 HDAC1 (0.51)
SCHEMBL445574 0.76 MEN1 (0.49) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL5791272 0.76 MEN1 (0.49) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL442422 0.76 POLB (0.53) ALDH1A1

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-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP claimed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO claimed