SCHEMBL4739697

SCHEMBL4739697

O=C(O)c1cccc(-n2cc(-c3ccc(Br)s3)[nH]c2=S)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.53
MMP2 P08253 1/20 0.53
MMP14 P50281 1/20 0.53
RAB9A P51151 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.38
RORC P51449 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.36
MYC P01106 1/20 0.36
POLB P06746 1/20 0.36
HSPA1A P0DMV8 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
NR4A1 P22736 1/20 0.36
PTPN7 P35236 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
SCHEMBL4787184 0.83 RAB9A (0.61) RAB9AKMT2AMEN1KDM4EALDH1A1
SCHEMBL4738678 0.79 RAB9A (0.66) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL4741229 0.77 MMP13 (0.58) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL4739714 0.73 MMP13 (0.58) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL14147624 0.70 KMT2A (0.63) RAB9AKMT2AMEN1KDM4EALDH1A1
SCHEMBL4784413 0.67 RAB9A (0.71) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL14147034 0.67 RAB9A (0.61) RAB9AKMT2AMEN1KDM4EALDH1A1
SCHEMBL4784146 0.66 RAB9A (0.62) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL4735403 0.65 RAB9A (0.71) RAB9AKMT2AMEN1KDM4EALDH1A1
SCHEMBL31571649 0.62 DDB1 (0.64) KMT2AMEN1KDM4EALDH1A1MAPT

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