SCHEMBL6032464

SCHEMBL6032464

[O]c1ccc(CN(Cc2csc(-c3ccc(C(=O)NCCCCc4ccccc4)cc3)n2)C(=O)C2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
HSP90AA1 P07900 1/20 0.41
PTAFR P25105 1/20 0.41
MAPT P10636 6/20 0.41
TP53 P04637 3/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
JAK2 O60674 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
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL6032467 0.94 ESRRG (0.43) SLC6A9SLC6A5HSP90AA1PTAFRMAPT
SCHEMBL2473831 0.90 MAPT (0.45) SLC6A9SLC6A5HSP90AA1PTAFRMAPT
SCHEMBL2471479 0.76 MAPT (0.49) HSP90AA1PTAFRMAPTTP53LMNA
SCHEMBL2470655 0.74 MAPT (0.49) MAPTTP53TMEM97SIGMAR1LMNA
SCHEMBL2469736 0.73 MAPT (0.46) HSP90AA1PTAFRMAPTTP53DRD2
SCHEMBL2469743 0.73 MAPT (0.46) HSP90AA1PTAFRMAPTTP53DRD2
SCHEMBL2471727 0.73 TP53 (0.50) MAPTTP53LMNA
SCHEMBL1734794 0.72 MAPT (0.53) MAPTTP53TMEM97SIGMAR1LMNA
SCHEMBL28694741 0.68 MEN1 (0.73) LMNA
SCHEMBL2472568 0.67 TP53 (0.49) MAPTTP53NPC1RAB9A

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