SCHEMBL4785836

SCHEMBL4785836

Cc1ccc(-c2cn(-c3ccc(OCC(=O)O)cc3)c(=S)[nH]2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.44
APEX1 P27695 1/20 0.44
KMT2A Q03164 4/20 0.43
GAA P10253 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
ALOX12 P18054 1/20 0.43
GFER P55789 1/20 0.39
ADORA2A P29274 3/20 0.39
ADORA2B P29275 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL4783116 0.89 ALDH1A1 (0.46) KMT2AGAARAB9AHPGDNPC1
SCHEMBL4783025 0.83 SMN1; SMN2 (0.41) KMT2AGAARAB9AHPGDNPC1
SCHEMBL14147263 0.81 KMT2A (0.64) KMT2AGAARAB9AHPGDNPC1
SCHEMBL4737012 0.78 GAA (0.58) KMT2AGAARAB9AHPGDNPC1
SCHEMBL4782928 0.78 MAPT (0.43) KMT2AGAARAB9AHPGDNPC1
SCHEMBL14147078 0.76 GFER (0.64) KMT2AGAARAB9AHPGDNPC1
SCHEMBL14147190 0.74 ALDH1A1 (0.65) KMT2AGAARAB9AHPGDNPC1
SCHEMBL4739714 0.73 MMP13 (0.58) NR4A1KMT2AGAARAB9AHPGD
SCHEMBL4735513 0.72 MMP13 (0.44) KMT2ARAB9AHPGDNPC1ALDH1A1
SCHEMBL4785282 0.71 KMT2A (0.50) KMT2AGAARAB9AHPGDNPC1

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