SCHEMBL11979710

SCHEMBL11979710

COc1ccc2c(Cc3cccc(C4=NNNN4)n3)c(-c3cccnc3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PDE10A Q9Y233 3/20 0.39
MAPK13 O15264 3/20 0.38
MAPK12 P53778 3/20 0.38
MAPK11 Q15759 3/20 0.38
MAPK14 Q16539 3/20 0.38
CYP11B2 P19099 5/20 0.38
CYP19A1 P11511 4/20 0.38
CYP11B1 P15538 4/20 0.38
CYP2C9 P11712 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL11979697 0.90 TUBB4A (0.43) ALDH1A1KDM4EHPGDHSD17B10MTNR1A
SCHEMBL11979709 0.86 CYP19A1 (0.48) PDE10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL11979704 0.85 TUBB4A (0.43) KDM4EHSD17B10PDE10AMAPK13MAPK12
SCHEMBL11979699 0.85 TUBB4A (0.44) PDE10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL11979711 0.84 PDE10A (0.39) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL11979702 0.81 PDE10A (0.39) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL11978295 0.81 PDE10A (0.37) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL15975201 0.81 PDE10A (0.38) ALDH1A1KDM4EMTNR1AMTNR1BPDE10A
SCHEMBL15975203 0.80 PDE10A (0.38) ALDH1A1KDM4EHPGDHSD17B10MTNR1A
SCHEMBL3709862 0.79 KDM4E (0.52) ALDH1A1KDM4EHPGDHSD17B10MTNR1A

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
US-8815903-B2 Indole derivative and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
US-8815903-B2 Indole derivative and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
WO-2012102255-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT OF SAME キッセイ薬品工業株式会社 (JP) 2012-08-02 WO disclosed