SCHEMBL17138117

SCHEMBL17138117

CCC(N=[N+]=[N-])Oc1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 2/20 0.50
▸ DRD1 P21728 1/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ CYP2A6 P11509 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALDH3A1 P30838 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ TYR P14679 1/20 0.34
▸ STS P08842 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ PDE2A O00408 1/20 0.32

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
SCHEMBL4048430 0.74 ALDH1A3 (0.62) ALDH1A3DRD1ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL16353393 0.73 ALDH1A3 (0.66) ALDH1A3DRD1ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL7686959 0.71 ALDH1A3 (0.58) ALDH1A3DRD1ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL11684015 0.71 ALDH1A3 (0.58) ALDH1A3DRD1ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL28432315 0.71 ALDH1A3 (0.58) ALDH1A3DRD1ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL12318700 0.71 ALDH1A3 (0.58) ALDH1A3DRD1ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL6317305 0.69 ALDH1A3 (0.55) ALDH1A3DRD1ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL1915714 0.68 ALDH1A3 (0.58) ALDH1A3DRD1ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL19435692 0.68 PDE2A (0.54) ALDH1A3ALDH1A1CYP2A6ALDH3A1TYR
SCHEMBL14016002 0.68 ALDH1A3 (0.76) ALDH1A3DRD1ALDH1A1CYP2A6SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770420-B2 Method for producing a polyglycerol nanogel for the encapsulation and release of biologically active substances FREIE UNIVERSITÄT BERLIN (DE) 2017-09-26 — — US disclosed
US-20150283094-A1 METHOD FOR PRODUCING A POLYGLYCEROL NANOGEL FOR THE ENCAPSULATION AND RELEASE OF BIOLOGICALLY ACTIVE SUBSTANCES FREIE UNIVERSITÄT BERLIN (DE) 2015-10-08 — — US disclosed
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