SCHEMBL8944450

SCHEMBL8944450

CCOC(=O)c1cnn(C)c1NC(CC)Cc1ccc(-c2ccccc2C(=N)NO)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ALDH1A1 P00352 6/20 0.37
NPSR1 Q6W5P4 1/20 0.35
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LPAR1 Q92633 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL8944158 0.84 JMJD6 (0.39) NPSR1AGTR1AGTR2TP53
SCHEMBL8944331 0.81 AGTR1 (0.51) LMNAALDH1A1NPSR1AGTR1AGTR2
SCHEMBL8548644 0.80 ALDH1A1 (0.36) LMNAALDH1A1NPSR1AGTR1AGTR2
SCHEMBL8944447 0.79 AGTR1 (0.36) AGTR1AGTR2KDM4ETP53
SCHEMBL8944455 0.76 AGTR1 (0.43) ALDH1A1AGTR1AGTR2
SCHEMBL6610008 0.75 AGTR1 (0.39) AGTR1AGTR2RAB9ANPC1TP53
SCHEMBL8549892 0.73 LMNA (0.36) LMNAALDH1A1RAB9AMAPTNPC1
SCHEMBL8944162 0.70 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8548779 0.69 LTB4R2 (0.48) AGTR1AGTR2
SCHEMBL6604865 0.69 AGTR1 (0.43) AGTR1AGTR2HTT

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