SCHEMBL4739714

SCHEMBL4739714

Cc1ccc(-c2cn(-c3cccc(C(=O)O)c3)c(=S)[nH]2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.58
MMP2 P08253 1/20 0.58
MMP14 P50281 1/20 0.58
RAB9A P51151 6/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 2/20 0.42
POLB P06746 2/20 0.42
RECQL P46063 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MYC P01106 1/20 0.42
HSPA1A P0DMV8 1/20 0.42
ALOX15 P16050 1/20 0.42
NR4A1 P22736 1/20 0.42
PTPN7 P35236 1/20 0.42

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
SCHEMBL4741229 0.86 MMP13 (0.58) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL4737012 0.83 GAA (0.58) RAB9AKMT2AMAPTKDM4EALDH1A1
SCHEMBL14147077 0.81 GFER (0.51) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL4738678 0.79 RAB9A (0.66) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL4785714 0.74 RAB9A (0.54) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL14147078 0.74 GFER (0.64) RAB9AKMT2AMAPTKDM4EALDH1A1
SCHEMBL4785836 0.73 NR4A1 (0.44) MMP13RAB9AKMT2AMAPTKDM4E
SCHEMBL13827524 0.73 MAPT (0.44) RAB9AKMT2AMAPTKDM4EALDH1A1
SCHEMBL14147263 0.71 KMT2A (0.64) RAB9AKMT2AMAPTKDM4EALDH1A1
SCHEMBL4785282 0.71 KMT2A (0.50) MMP13MMP2MMP14RAB9AKMT2A

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