SCHEMBL8944112

SCHEMBL8944112

CCCC[N+]#Cc1ccccc1-c1ccc(CNc2ncncc2C(=O)OCC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.62
AGTR2 P50052 8/20 0.62
MAPT P10636 2/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
BDKRB1 P46663 2/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
KDM4E B2RXH2 2/20 0.41
EED O75530 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL9590363 0.77 AGTR1 (0.68) AGTR1AGTR2MAPTEGFRERBB2
SCHEMBL6607228 0.77 AGTR1 (0.61) AGTR1AGTR2MAPTEGFRERBB2
SCHEMBL9592562 0.76 AGTR1 (0.74) AGTR1AGTR2MAPTEGFRERBB2
SCHEMBL18070888 0.74 AGTR1 (0.61) AGTR1AGTR2MAPTEGFRERBB2
SCHEMBL9589254 0.73 AGTR1 (0.64) AGTR1AGTR2MAPTEGFRERBB2
SCHEMBL8553594 0.71 AGTR1 (0.44) AGTR1AGTR2MAPTEGFRERBB2
SCHEMBL9593298 0.70 AGTR1 (0.75) AGTR1AGTR2MAPTALDH1A1HSD17B10
SCHEMBL6606668 0.69 KDM4E (0.55) AGTR1AGTR2MAPTEGFRERBB2
SCHEMBL6609133 0.68 AGTR1 (0.58) AGTR1AGTR2ALDH1A1HSD17B10CYP1A2
SCHEMBL9592095 0.67 AGTR1 (0.69) AGTR1AGTR2MAPTBDKRB1ALDH1A1

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