SCHEMBL8944271

SCHEMBL8944271

CCOC(=O)c1cc2ccccc2nc1NC(CC)Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 8/20 0.36
AGTR1 P30556 8/20 0.36
ALDH1A1 P00352 2/20 0.35
ELANE P08246 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MME P08473 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
SCHEMBL6610731 0.87 AGTR2 (0.51) AGTR2AGTR1ALDH1A1KDM4ETSHR
SCHEMBL6604852 0.86 AGTR2 (0.36) AGTR2AGTR1ALDH1A1ELANEMEN1
SCHEMBL6607743 0.86 HTT (0.41) AGTR2AGTR1
SCHEMBL6605204 0.85 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL8548644 0.81 ALDH1A1 (0.36) AGTR2AGTR1ALDH1A1KDM4ELMNA
SCHEMBL8944447 0.81 AGTR1 (0.36) AGTR2AGTR1KDM4EMEN1KMT2A
SCHEMBL6608525 0.79 AGTR1 (0.44) AGTR2AGTR1
SCHEMBL6606968 0.79 AGTR1 (0.47) AGTR2AGTR1
SCHEMBL6606053 0.78 AGTR1 (0.50) AGTR2AGTR1ALDH1A1KDM4ETSHR
SCHEMBL6607142 0.77 BRS3 (0.39) AGTR2AGTR1

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