SCHEMBL4784271

SCHEMBL4784271

CCOC(=O)c1cn(-c2ccc(OC)cc2)c(=S)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 7/20 0.57
MEN1 O00255 5/20 0.57
MAPT P10636 5/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 4/20 0.56
TP53 P04637 1/20 0.56
ALOX12 P18054 1/20 0.56
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
GAA P10253 3/20 0.52
RXFP1 Q9HBX9 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL4736438 0.82 KMT2A (0.58) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL4737829 0.81 KMT2A (0.51) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL14147625 0.77 KMT2A (0.54) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL4738132 0.76 HPGD (0.52) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL4783417 0.75 HPGD (0.51) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL4738824 0.74 RAB9A (0.55) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL14146845 0.74 HRH4 (0.53) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL16703304 0.73 KMT2A (0.73) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL14146842 0.73 AKR1C3 (0.52) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL1180051 0.72 KMT2A (1.00) KMT2AALDH1A1MEN1MAPTPOLB

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