SCHEMBL4785964

SCHEMBL4785964

CCOC(=O)c1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
MEN1 O00255 4/20 0.61
MAPT P10636 4/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
GFER P55789 1/20 0.60
RAB9A P51151 6/20 0.60
NPC1 O15118 4/20 0.60
GAA P10253 3/20 0.60
HPGD P15428 2/20 0.60
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
TP53 P04637 1/20 0.50
ALOX12 P18054 1/20 0.50
TUBB4A P04350 1/20 0.49

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
SCHEMBL4784146 0.87 RAB9A (0.62) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4786957 0.82 KMT2A (0.78) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4784413 0.78 RAB9A (0.71) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4737060 0.77 RAB9A (1.00) KMT2AMEN1MAPTALDH1A1GFER
SCHEMBL4785248 0.75 GFER (1.00) KMT2AMEN1MAPTALDH1A1POLB
Biphenyl SCHEMBL27937069 0.75 MEN1 (0.72) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL24106782 0.73 MEN1 (0.70) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL570961 0.73 MEN1 (0.70) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL18292671 0.73 RAB9A (0.78) KMT2AMEN1MAPTALDH1A1GFER
SCHEMBL4738678 0.72 RAB9A (0.66) KMT2AMEN1MAPTGFERRAB9A

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