SCHEMBL4735513

SCHEMBL4735513

CCOC(=O)c1cccc(-n2cc(-c3ccc(C)o3)[nH]c2=S)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.44
MMP2 P08253 1/20 0.44
MMP14 P50281 1/20 0.44
RAB9A P51151 4/20 0.43
KMT2A Q03164 3/20 0.43
ALOX5 P09917 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPC1 O15118 2/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL4735428 0.90 MMP13 (0.43) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL4739714 0.86 MMP13 (0.58) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL4784146 0.84 RAB9A (0.62) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL4739037 0.78 RAB9A (0.42) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL14147077 0.77 GFER (0.51) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL4737012 0.76 GAA (0.58) RAB9AKMT2ATP53HPGDALDH1A1
SCHEMBL4783116 0.76 ALDH1A1 (0.46) RAB9AKMT2ATP53POLBHPGD
SCHEMBL4741229 0.73 MMP13 (0.58) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL4783025 0.72 SMN1; SMN2 (0.41) RAB9AKMT2ATP53POLBHPGD
SCHEMBL4782928 0.72 MAPT (0.43) RAB9AKMT2ATP53POLBHPGD

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