SCHEMBL17340661

SCHEMBL17340661

O=Nc1c(CN2CCCCC2)ccn(Cc2ccccc2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 7/20 0.57
▸ EGLN1 Q9GZT9 7/20 0.57
▸ CACNB4 O00305 1/20 0.44
▸ CACNA1A O00555 1/20 0.44
▸ CACNA1G O43497 1/20 0.44
▸ CACNG3 O60359 1/20 0.44
▸ CACNA1F O60840 1/20 0.44
▸ CACNA1H O95180 1/20 0.44
▸ CACNB3 P54284 1/20 0.44
▸ CACNA2D1 P54289 1/20 0.44
▸ CACNG7 P62955 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ CACNA1D Q01668 1/20 0.44
▸ CACNB1 Q02641 1/20 0.44
▸ CACNG1 Q06432 1/20 0.44
▸ CACNB2 Q08289 1/20 0.44
▸ CACNA1S Q13698 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ CACNA1E Q15878 1/20 0.44
▸ CACNA2D4 Q7Z3S7 1/20 0.44

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
SCHEMBL17340697 0.92 VEGFA (0.67) VEGFAEGLN1ALDH1A1SIGMAR1
SCHEMBL17340662 0.89 VEGFA (0.49) VEGFAEGLN1TSHRL3MBTL1ALDH1A1
SCHEMBL17340685 0.83 EGLN1 (0.50) VEGFAEGLN1ALDH1A1MAPK14
SCHEMBL273696 0.82 EGLN1 (0.85) VEGFAEGLN1CACNB4CACNA1ACACNA1G
SCHEMBL277668 0.82 EGLN1 (0.85) VEGFAEGLN1CACNB4CACNA1ACACNA1G
SCHEMBL271963 0.82 EGLN1 (0.85) VEGFAEGLN1CACNB4CACNA1ACACNA1G
SCHEMBL273037 0.80 EGLN1 (0.87) VEGFAEGLN1CACNB4CACNA1ACACNA1G
SCHEMBL15314777 0.77 CNR2 (0.42) VEGFAEGLN1ALDH1A1MAPK14
SCHEMBL15314769 0.73 VEGFA (0.46) VEGFAEGLN1CXCR4ALDH1A1
SCHEMBL17340673 0.73 EGLN1 (0.71) VEGFAEGLN1MAPK14

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
EP-2954899-A1 COMPOSITIONS AND METHODS FOR TREATING COLITIS Aerpio Therapeutics, Inc. (US) 2015-12-16 — — EP disclosed
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