SCHEMBL4803704

SCHEMBL4803704

CC(=O)Nc1ccc(-n2cc(-c3ccc(Br)o3)[nH]c2=S)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.63
ALDH1A1 P00352 9/20 0.46
MAPT P10636 8/20 0.46
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 4/20 0.46
PSMB8 P28062 1/20 0.42
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 3/20 0.36
TP53 P04637 3/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL14147078 0.87 GFER (0.64) GFERALDH1A1MAPTRAB9ANPC1
SCHEMBL14147079 0.87 GFER (0.50) GFERALDH1A1MAPTRAB9ANPC1
SCHEMBL4739010 0.78 RAB9A (0.58) GFERALDH1A1MAPTRAB9ANPC1
SCHEMBL4785248 0.77 GFER (1.00) GFERALDH1A1MAPTRAB9ANPC1
SCHEMBL14147077 0.75 GFER (0.51) GFERALDH1A1MAPTRAB9ANPC1
SCHEMBL4741229 0.73 MMP13 (0.58) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14147190 0.69 ALDH1A1 (0.65) GFERALDH1A1MAPTRAB9ANPC1
SCHEMBL4785714 0.67 RAB9A (0.54) GFERALDH1A1MAPTRAB9ANPC1
SCHEMBL4737012 0.65 GAA (0.58) GFERALDH1A1MAPTRAB9ANPC1
SCHEMBL22804219 0.63 RAB9A (0.70) GFERALDH1A1MAPTRAB9ANPC1

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
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed