SCHEMBL4750119

SCHEMBL4750119

CCCCNC(=O)c1cc(C(=O)O)cc(N(C)S(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
BACE1 P56817 3/20 0.45
CTSD P07339 1/20 0.45
BACE2 Q9Y5Z0 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.43
GALR3 O60755 1/20 0.43
NAAA Q02083 1/20 0.43
LMNA P02545 2/20 0.41
CA2 P00918 2/20 0.40
KDM5A P29375 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39

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
SCHEMBL4749720 0.88 TP53 (0.50) SMN1; SMN2TP53PKMBACE1CTSD
SCHEMBL475666 0.81 MCHR1 (0.58) SMN1; SMN2TP53PKMBACE1NPC1
SCHEMBL475723 0.80 LCK (0.45) SMN1; SMN2BACE1NPC1RAB9AL3MBTL1
SCHEMBL17373856 0.77 NAAA (0.68) SMN1; SMN2L3MBTL1NAAACA2THRA
SCHEMBL17373956 0.77 NAAA (0.68) SMN1; SMN2L3MBTL1NAAACA2THRA
SCHEMBL4750118 0.77 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1KDM4ENAAALMNA
SCHEMBL2914113 0.77 SMN1; SMN2 (0.79) SMN1; SMN2L3MBTL1NAAATSHRHTT
SCHEMBL3446746 0.76 RAB9A (0.39) SMN1; SMN2TP53BACE1CTSDBACE2
SCHEMBL6648153 0.75 NAAA (0.56) SMN1; SMN2L3MBTL1NAAACA2GPR84
SCHEMBL3863169 0.75 RAB9A (0.38) SMN1; SMN2BACE1CTSDBACE2NPC1

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-2008119772-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed