SCHEMBL4738824

SCHEMBL4738824

COc1ccc(-n2cc(C(=O)Nc3ccccc3)[nH]c2=S)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
NPC1 O15118 6/20 0.55
KMT2A Q03164 4/20 0.55
GAA P10253 3/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 1/20 0.51
GFER P55789 1/20 0.50
ALOX12 P18054 2/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
KCNK9 Q9NPC2 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
AURKA O14965 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
HTT P42858 1/20 0.46
ALOX15 P16050 1/20 0.46
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL14147625 0.94 KMT2A (0.54) RAB9ANPC1KMT2AGAAHPGD
SCHEMBL4736438 0.82 KMT2A (0.58) RAB9ANPC1KMT2AGAAHPGD
SCHEMBL4737829 0.73 KMT2A (0.51) RAB9ANPC1KMT2AGAAHPGD
SCHEMBL4738132 0.73 HPGD (0.52) RAB9ANPC1KMT2AGAAHPGD
SCHEMBL2919439 0.73 RAB9A (0.87) RAB9ANPC1KMT2AGAAALDH1A1
SCHEMBL28676362 0.72 RAB9A (0.57) RAB9ANPC1KMT2AGAAHPGD
SCHEMBL29071895 0.71 POLB (0.51) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL14146842 0.71 AKR1C3 (0.52) RAB9ANPC1KMT2AGAAHPGD
SCHEMBL4963650 0.70 RAB9A (1.00) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL16587389 0.69 NPC1 (0.77) RAB9ANPC1KMT2AGAAALDH1A1

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 3 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 claimed
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