SCHEMBL3683036

SCHEMBL3683036

Cc1nn(Cc2ccccn2)c(O)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 7/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.42
HSP90AA1 P07900 2/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
JAK2 O60674 1/20 0.40
NR3C2 P08235 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
SLC16A3 O15427 2/20 0.39
SYK P43405 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
NR3C1 P04150 2/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL23401645 0.77 GAA (0.50) POLBGAAKDM4EMAPTALDH1A1
SCHEMBL23398491 0.75 GAA (0.48) POLBGAAKDM4EMAPTALDH1A1
SCHEMBL23400655 0.74 GAA (0.47) POLBGAAKDM4EMAPTALDH1A1
SCHEMBL17949510 0.73 P2RX7 (0.43) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23400686 0.72 NR1H3 (0.52) POLBGAAMAPTALDH1A1NPSR1
SCHEMBL4746341 0.72 ALDH1A1 (0.48) GAAKDM4EMAPTALDH1A1NPSR1
SCHEMBL3693578 0.72 NPC1 (0.47) POLBGAAKDM4EMAPTALDH1A1
SCHEMBL19668735 0.71 MAPT (0.54) POLBKDM4EMAPTALDH1A1NPSR1
SCHEMBL22538669 0.71 P2RX7 (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16832680 0.71 KDM4E (0.62) GAAKDM4EALDH1A1SMN1; SMN2NR3C1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO claimed
WO-2008121861-A2 PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-09 WO claimed
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO disclosed
WO-2008121861-A2 PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-09 WO disclosed
WO-2008121861-A2 PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-09 WO disclosed