SCHEMBL29328629

SCHEMBL29328629

CCOC(=O)CCCn1nc2cccnc2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.45
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
FAAH O00519 4/20 0.43
TNF P01375 8/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TOP2A P11388 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL29328610 0.85 GAA (0.52) GAALMNACYSLTR2CYSLTR1FAAH
SCHEMBL23880030 0.77 ALDH1A1 (0.54) LMNAFAAHKDM4EALDH1A1HSD17B10
SCHEMBL22965268 0.75 TNF (0.46) GAALMNATNFKDM4EALDH1A1
SCHEMBL22965223 0.75 TNF (0.49) GAATNF
SCHEMBL10469111 0.75 TNF (0.55) LMNATNF
SCHEMBL22965233 0.74 TNF (0.45) GAALMNATNFKDM4EALDH1A1
SCHEMBL16421862 0.72 GAA (0.59) GAALMNAFAAHTNFKDM4E
SCHEMBL22965161 0.72 TNF (0.45) GAALMNATNFKDM4EALDH1A1
SCHEMBL24210897 0.71 BCHE (0.37) ALDH1A1HTT
SCHEMBL941980 0.70 CYP4F2 (0.49) LMNACYSLTR2CYSLTR1TNFTOP2A

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-4234609-B1 METHODS FOR PURIFICATION, DETECTION AND QUANTIFICATION OF RESIDUAL PEI-BASED TRANSFECTION REAGENTS POLYPLUS TRANSFECTION (FR) 2024-07-17 EP disclosed