SCHEMBL6032467

SCHEMBL6032467

O=C(NCCCCc1ccccc1)c1ccc(-c2nc(CN(Cc3ccc(O)cc3)C(=O)C3CCCCC3)cs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.43
SLC6A5 Q9Y345 2/20 0.42
SLC6A9 P48067 1/20 0.42
MAPT P10636 6/20 0.42
RAB9A P51151 1/20 0.42
HSP90AA1 P07900 1/20 0.41
PTAFR P25105 1/20 0.41
TP53 P04637 3/20 0.41
JAK2 O60674 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
MLYCD O95822 1/20 0.39
EPHX1 P07099 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6032464 0.94 SLC6A9 (0.42) SLC6A5SLC6A9MAPTRAB9AHSP90AA1
SCHEMBL2473831 0.90 MAPT (0.45) SLC6A5SLC6A9MAPTHSP90AA1PTAFR
SCHEMBL2471394 0.76 SLC6A9 (0.45) SLC6A5SLC6A9MAPTTP53SMN1; SMN2
SCHEMBL2471479 0.76 MAPT (0.49) MAPTRAB9AHSP90AA1PTAFRTP53
SCHEMBL2470655 0.74 MAPT (0.49) MAPTRAB9ATP53TMEM97SIGMAR1
SCHEMBL2469743 0.73 MAPT (0.46) MAPTHSP90AA1PTAFRTP53DRD2
SCHEMBL2471727 0.73 TP53 (0.50) MAPTTP53SMN1; SMN2
SCHEMBL2469736 0.73 MAPT (0.46) MAPTHSP90AA1PTAFRTP53DRD2
SCHEMBL1734794 0.72 MAPT (0.53) MAPTRAB9ATP53TMEM97SIGMAR1
SCHEMBL5725233 0.69 NPC1 (0.73) ESRRGSLC6A5RAB9AHSP90AA1MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656139-A1 ARYL DICARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-17 EP claimed
WO-2005011685-A1 ARYL DICARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO claimed