SCHEMBL5596604

SCHEMBL5596604

[c]1nc(NCCN2CCCCC2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.52
IRAK4 Q9NWZ3 2/20 0.48
MGLL Q99685 1/20 0.43
LTA4H P09960 5/20 0.43
HRH3 Q9Y5N1 2/20 0.42
ACP1 P24666 1/20 0.42
SMARCA2 P51531 1/20 0.42
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TOP2A P11388 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL7144576 0.85 ILK (0.50) ILKIRAK4MGLLLTA4HACP1
SCHEMBL5596942 0.80 ILK (0.51) ILKIRAK4TP53TSHRRAB9A
SCHEMBL5596256 0.79 NPC1 (0.54) ILKTP53CYP1A2CYP3A4CYP2D6
SCHEMBL5596406 0.78 ILK (0.51) ILKTP53TSHRRAB9ASMN1; SMN2
SCHEMBL5596758 0.78 QPCT (0.41) ILKIRAK4TP53TSHRMAPK1
SCHEMBL5596674 0.76 NPC1 (0.44) ILKMGLLLTA4HCYP1A2CYP3A4
SCHEMBL5596937 0.76 ILK (0.53) ILKIRAK4MGLLTP53CYP1A2
SCHEMBL5596418 0.76 NPC1 (0.44) ILKMGLLTP53CYP1A2CYP3A4
SCHEMBL5596495 0.76 LTA4H (0.39) ILKLTA4HTP53TSHRMAPK1
SCHEMBL5596939 0.76 NPC1 (0.44) ILKMGLLTP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed