SCHEMBL8549892

SCHEMBL8549892

CCC[N+](C)(c1ccc(-c2ccccc2C(=N)NO)cc1)c1c(C(=O)OCC)cnn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 8/20 0.36
TGFBR1 P36897 1/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 7/20 0.35
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 3/20 0.35
TBXAS1 P24557 1/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
STAT1 P42224 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
TSHR P16473 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
SCHEMBL6608520 0.83 JMJD6 (0.39) LMNAALDH1A1NPC1RAB9AHPGD
SCHEMBL8944455 0.75 AGTR1 (0.43) ALDH1A1
SCHEMBL8944450 0.73 LMNA (0.39) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8944162 0.69 AGTR1 (0.54)
SCHEMBL8548779 0.68 LTB4R2 (0.48)
SCHEMBL6604865 0.66 AGTR1 (0.43) KMT2A
SCHEMBL8944158 0.66 JMJD6 (0.39) TP53TSHR
SCHEMBL17998734 0.64 AGTR2 (0.57) HPGDKDM4EHSD17B10TBXAS1TP53
SCHEMBL8952046 0.64 LTB4R2 (0.35) TP53TSHR
SCHEMBL7642688 0.63 TSHR (0.61) ALDH1A1MAPTHPGDHSD17B10TSHR

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
EP-0588299-B1 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0829479-A1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-18 EP disclosed
EP-0588299-A2 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-23 EP disclosed