SCHEMBL4735403

SCHEMBL4735403

O=C(O)c1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.71
GAA P10253 5/20 0.67
GFER P55789 1/20 0.66
CA12 O43570 2/20 0.63
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
CA9 Q16790 2/20 0.63
KMT2A Q03164 6/20 0.62
NPC1 O15118 4/20 0.62
HPGD P15428 2/20 0.62
MAPT P10636 4/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
APOBEC3G Q9HC16 1/20 0.57
MEN1 O00255 3/20 0.56
POLB P06746 1/20 0.56
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51

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
SCHEMBL4784413 0.94 RAB9A (0.71) RAB9AGAAGFERCA12CA1
SCHEMBL4738678 0.85 RAB9A (0.66) RAB9AGAAGFERCA12CA1
SCHEMBL4737060 0.84 RAB9A (1.00) RAB9AGAAGFERCA12CA1
SCHEMBL4738476 0.83 RAB9A (0.78) RAB9AGAAGFERCA12CA1
SCHEMBL4785964 0.83 KMT2A (0.61) RAB9AGAAGFERCA12CA1
SCHEMBL4735887 0.81 RAB9A (0.93) RAB9AGAAGFERCA12CA1
SCHEMBL18292671 0.80 RAB9A (0.78) RAB9AGAAGFERCA12CA1
SCHEMBL4785248 0.80 GFER (1.00) RAB9AGAAGFERCA12CA1
SCHEMBL4786957 0.80 KMT2A (0.78) RAB9AGAAGFERCA12CA1
SCHEMBL4739304 0.77 RAB9A (0.78) RAB9AGAAGFERCA12CA1

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