SCHEMBL4782928

SCHEMBL4782928

COC(=O)Cc1ccc(-n2cc(-c3ccc(C)o3)[nH]c2=S)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.40
TP53 P04637 2/20 0.40
ALOX12 P18054 1/20 0.40
GFER P55789 1/20 0.39
RAB9A P51151 4/20 0.38
GAA P10253 4/20 0.38
NPC1 O15118 2/20 0.38
RXFP1 Q9HBX9 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL4783025 0.88 SMN1; SMN2 (0.41) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL14147263 0.79 KMT2A (0.64) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL14147078 0.79 GFER (0.64) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL4785836 0.78 NR4A1 (0.44) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL4783116 0.78 ALDH1A1 (0.46) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL14147190 0.76 ALDH1A1 (0.65) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL4785282 0.76 KMT2A (0.50) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL4737012 0.76 GAA (0.58) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL4785714 0.73 RAB9A (0.54) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL4735513 0.72 MMP13 (0.44) MAPTALDH1A1KMT2AMEN1POLB

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