SCHEMBL4784413

SCHEMBL4784413

O=C(O)c1ccc(-c2cn(-c3ccccc3)c(=S)[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.71
KMT2A Q03164 8/20 0.63
NPC1 O15118 4/20 0.63
MAPT P10636 4/20 0.63
MEN1 O00255 4/20 0.63
GFER P55789 1/20 0.59
GAA P10253 5/20 0.58
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
HPGD P15428 2/20 0.55
APOBEC3G Q9HC16 1/20 0.54
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48

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
SCHEMBL4735403 0.94 RAB9A (0.71) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL4786957 0.85 KMT2A (0.78) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL4738678 0.85 RAB9A (0.66) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL4735887 0.84 RAB9A (0.93) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL4737060 0.84 RAB9A (1.00) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL4739304 0.83 RAB9A (0.78) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL4738902 0.80 RAB9A (0.78) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL4738136 0.80 RAB9A (0.78) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL4739354 0.80 RAB9A (0.78) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL4785964 0.78 KMT2A (0.61) RAB9AKMT2ANPC1MAPTMEN1

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 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