SCHEMBL11978281

SCHEMBL11978281

COc1ccc2c(Cc3cccc(-c4noc(=O)[nH]4)n3)c(-c3ccoc3)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
PDE10A Q9Y233 3/20 0.40
HTR6 P50406 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL11978656 0.90 PDE10A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15975190 0.89 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15975094 0.87 CYP19A1 (0.47) PDE10AMEN1KMT2AHSD17B10CYP19A1
SCHEMBL15975192 0.84 TUBB4A (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15975093 0.83 PDE10A (0.42) PDE10AKDM4EMEN1CYP1A2CYP3A4
SCHEMBL11979704 0.81 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15975194 0.80 PDE10A (0.40) PDE10AKDM4EKMT2AHSD17B10PLA2G2A
SCHEMBL3699712 0.80 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11978277 0.79 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15975129 0.79 MTNR1A (0.41) PDE10AKDM4ECYP1A2CYP3A4CYP2D6

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