SCHEMBL8552171

SCHEMBL8552171

CCCN(Cc1ccc(-c2ccccc2C#N)cc1)c1c(C(=O)OCC)cnn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.40
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 8/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AGTR1 P30556 6/20 0.38
AGTR2 P50052 6/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL6606838 0.83 AGTR1 (0.53) MAP2K1ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL8944455 0.83 AGTR1 (0.43) ALDH1A1AGTR1AGTR2
SCHEMBL8550701 0.83 ALDH1A1 (0.41) MAP2K1ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL6611120 0.81 AGTR1 (0.55) ALDH1A1AGTR1AGTR2SMN1; SMN2
SCHEMBL8548646 0.80 AGTR1 (0.39) ALDH1A1AGTR1AGTR2
SCHEMBL6608915 0.79 AGTR1 (0.42) ALDH1A1KDM4EL3MBTL1TDP1LMNA
SCHEMBL8550700 0.78 KDM4E (0.49) MAP2K1ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL9296520 0.77 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL6606990 0.77 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9409382 0.76 KDM4E (0.39) ALDH1A1KDM4EL3MBTL1TDP1LMNA

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
US-5500427-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-19 US disclosed