SCHEMBL8587444

SCHEMBL8587444

CCOc1cc(-n2c(C)nc3cccc(C(=O)OC)c32)ccc1-c1ccccc1-c1nc(=S)o[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.36
POLB P06746 1/20 0.35
AGTR2 P50052 1/20 0.34
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE5A O76074 1/20 0.33
VDR P11473 1/20 0.33

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
SCHEMBL8357513 0.91 TSHR (0.39) TSHRALOX15POLBAGTR2KDM4E
SCHEMBL8364350 0.90 TSHR (0.38) TSHRALOX15POLBKDM4ELMNA
SCHEMBL8361981 0.85 PTPN11 (0.37) TP53KDM4ELMNASMN1; SMN2
SCHEMBL8417426 0.85 TSHR (0.37) TSHRALOX15POLBAGTR2
SCHEMBL8357460 0.84 TSHR (0.38) TSHRALOX15POLBAGTR2KDM4E
SCHEMBL8359536 0.83 KDM4E (0.40) ALOX15AGTR2TP53KDM4ELMNA
SCHEMBL8356863 0.81 ALOX15 (0.38) TSHRALOX15AGTR2TP53KDM4E
SCHEMBL8361978 0.80 PLA2G2A (0.36) AGTR2PDE5A
SCHEMBL8417957 0.79 ALOX15 (0.41) ALOX15POLBAGTR2TP53KDM4E
SCHEMBL8359387 0.78 TSHR (0.38) TSHRALOX15POLBKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed