SCHEMBL19496705

SCHEMBL19496705

NCC(=O)NCc1cccc(-c2ccc(N3CC=C(c4ccccn4)CC3)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 6/20 0.47
▸ CNR2 P34972 1/20 0.40
▸ WDR5 P61964 2/20 0.39
▸ TAOK1 Q7L7X3 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ MDM2 Q00987 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
SCHEMBL11364529 0.83 AOC3 (0.64) AOC3
SCHEMBL12814253 0.80 AOC3 (0.52) AOC3
SCHEMBL10318818 0.79 AOC3 (0.51) AOC3
SCHEMBL11360324 0.76 AOC3 (0.49) AOC3
SCHEMBL11361016 0.71 AOC3 (0.83) AOC3
SCHEMBL19496882 0.70 AOC3 (0.56) AOC3CNR2KDM4EALDH1A1TSHR
SCHEMBL12812640 0.69 CNR2 (0.45) AOC3CNR2KDM4EALDH1A1TSHR
SCHEMBL11356126 0.69 GRIN2D (0.51) AOC3CNR2KDM4EALDH1A1TSHR
SCHEMBL31506090 0.67 AOC3 (0.60) AOC3SRCMAPT
SCHEMBL26993973 0.67 AOC3 (0.60) AOC3SRCMAPT

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-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 — — EP disclosed
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