SCHEMBL11979709

SCHEMBL11979709

COc1ccc2c(Cc3cccc(C4=NNNN4)n3)c(-c3ccc(F)cc3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.48
MAPK13 O15264 5/20 0.45
MAPK12 P53778 5/20 0.45
MAPK11 Q15759 5/20 0.45
MAPK14 Q16539 5/20 0.45
PDE10A Q9Y233 1/20 0.40
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35

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 0.92 TUBB4A (0.43) CYP19A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11979704 0.86 TUBB4A (0.43) CYP19A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11979710 0.86 ALDH1A1 (0.44) CYP19A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11979699 0.86 TUBB4A (0.44) CYP19A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11979711 0.85 PDE10A (0.39) CYP19A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11979702 0.83 PDE10A (0.39) PDE10A
SCHEMBL15975201 0.82 PDE10A (0.38) CYP19A1PDE10A
SCHEMBL15975203 0.81 PDE10A (0.38) PDE10A
SCHEMBL11979707 0.81 PDE10A (0.43) PDE10ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11978295 0.80 PDE10A (0.37) PDE10A

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