SCHEMBL11979697

SCHEMBL11979697

COc1ccc2c(Cc3cccc(C4=NNNN4)n3)c(-c3ccccc3)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.43
TUBB P07437 5/20 0.43
TUBA3C P0DPH7 5/20 0.43
TUBA1B P68363 5/20 0.43
TUBA4A P68366 5/20 0.43
TUBB4B P68371 5/20 0.43
TUBB3 Q13509 5/20 0.43
TUBB2A Q13885 5/20 0.43
TUBB8 Q3ZCM7 5/20 0.43
TUBA3E Q6PEY2 5/20 0.43
TUBA1A Q71U36 5/20 0.43
TUBA1C Q9BQE3 5/20 0.43
TUBB6 Q9BUF5 5/20 0.43
TUBB2B Q9BVA1 5/20 0.43
TUBB1 Q9H4B7 5/20 0.43
PDE10A Q9Y233 2/20 0.41
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40

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
SCHEMBL11979709 0.92 CYP19A1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11979710 0.90 ALDH1A1 (0.44) PDE10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL11979704 0.89 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11979699 0.89 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11979711 0.88 PDE10A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11979698 0.88 MDM4 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15975468 0.87 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11979702 0.85 PDE10A (0.39) PDE10AHTR7HTR6KDM4EALDH1A1
SCHEMBL11979707 0.85 PDE10A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15975140 0.85 PDE10A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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