SCHEMBL4735447

SCHEMBL4735447

S=c1[nH]c(-c2ccco2)cn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
GAA P10253 4/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 5/20 0.50
HPGD P15428 4/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.48
MDM4 O15151 1/20 0.47
LMNA P02545 1/20 0.47
MDM2 Q00987 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
GFER P55789 1/20 0.42

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
SCHEMBL4737060 0.76 RAB9A (1.00) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL4737012 0.76 GAA (0.58) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL4739010 0.76 RAB9A (0.58) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL4740415 0.74 RAB9A (0.69) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL4735887 0.73 RAB9A (0.93) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL4785714 0.73 RAB9A (0.54) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL4738136 0.70 RAB9A (0.78) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL4739304 0.70 RAB9A (0.78) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL4739354 0.70 RAB9A (0.78) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL4738902 0.70 RAB9A (0.78) RAB9AGAAKMT2AMEN1NPC1

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