SCHEMBL8361981

SCHEMBL8361981

CCCCOc1cc(-n2c(C)nc3cccc(C(=O)O)c32)ccc1-c1ccccc1-c1nc(=S)o[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.37
DHODH Q02127 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
WDR5 P61964 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8362111 0.88 AGTR2 (0.34)
SCHEMBL8359536 0.85 KDM4E (0.40) LMNAKDM4ETP53SMN1; SMN2
SCHEMBL8587444 0.85 TSHR (0.36) LMNAKDM4ETP53SMN1; SMN2
SCHEMBL8359337 0.84 PTPN11 (0.37) PTPN11DHODHLMNAALDH1A1NPY1R
SCHEMBL8359915 0.81 DHODH (0.34) DHODHLMNA
SCHEMBL8419029 0.81 AGTR1 (0.37)
SCHEMBL8362081 0.81 AGTR2 (0.36)
SCHEMBL8364350 0.80 TSHR (0.38) LMNAKDM4E
SCHEMBL8361978 0.80 PLA2G2A (0.36) ALDH1A1
SCHEMBL8587862 0.79 ALOX15 (0.37) DHODH

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-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed