SCHEMBL4741229

SCHEMBL4741229

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

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 5/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.40
MDM4 O15151 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MDM2 Q00987 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
KMO O15229 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
MYC P01106 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4739714 0.86 MMP13 (0.58) MMP13MMP2MMP14RAB9AKDM4E
SCHEMBL4735428 0.84 MMP13 (0.43) MMP13MMP2MMP14RAB9AKDM4E
SCHEMBL4739010 0.83 RAB9A (0.58) RAB9AKDM4EALDH1A1MAPTKMT2A
SCHEMBL14147079 0.81 GFER (0.50) MMP13MMP2MMP14RAB9AKDM4E
SCHEMBL4738678 0.79 RAB9A (0.66) MMP13MMP2MMP14RAB9AKDM4E
SCHEMBL4739697 0.77 MMP13 (0.53) MMP13MMP2MMP14RAB9AKDM4E
SCHEMBL4785714 0.74 RAB9A (0.54) MMP13MMP2MMP14RAB9AKDM4E
SCHEMBL4803704 0.73 GFER (0.63) RAB9AKDM4EALDH1A1MAPTKMT2A
SCHEMBL14147077 0.68 GFER (0.51) MMP13MMP2MMP14RAB9AKDM4E
SCHEMBL4784413 0.67 RAB9A (0.71) MMP13MMP2MMP14RAB9AKDM4E

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