SCHEMBL7317610

SCHEMBL7317610

[CH]=Cc1cccc(SC(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
SLC6A4 P31645 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7317616 0.81 TP53 (0.48) ARSLC6A4TUBB4ATUBBTUBA3C
SCHEMBL5370189 0.81 ALDH1A1 (0.44) ARSLC6A4KDM4E
SCHEMBL31351861 0.79 SLC6A4 (0.42) ARSLC6A4KDM4EHSD17B10
SCHEMBL5950483 0.78 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10294043 0.71 ACHE (0.48) ARSLC6A4KDM4EHSD17B10
SCHEMBL10294034 0.69 ACHE (0.43) ARSLC6A4
SCHEMBL7109277 0.69 POLB (0.41) ARSLC6A4KDM4E
SCHEMBL21538192 0.69 HDAC8 (0.42) ARSLC6A4KDM4EHSD17B10
SCHEMBL2438988 0.69 MAOA (0.46) ARSLC6A4KDM4EHSD17B10
SCHEMBL18302082 0.69 HDAC8 (0.47) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 US disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 EP disclosed