SCHEMBL20020052

SCHEMBL20020052

COc1nc(N(CCO)CCO)nc(N(CCO)CCO)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 16/20 0.48
PRUNE1 Q86TP1 2/20 0.43
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
PDE2A O00408 1/20 0.39
RGS12 O14924 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCC5 O15440 1/20 0.39
PDE6D O43924 1/20 0.39
PDE8A O60658 1/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
PDE5A O76074 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CHRM2 P08172 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
SCHEMBL14380957 0.84 GAA (0.42) SLC29A1PRUNE1ALDH1A1LMNAGAA
SCHEMBL1035062 0.82 SLC29A1 (0.58) SLC29A1PRUNE1ALDH1A1KDM4EMEN1
SCHEMBL11765516 0.82 ALDH1A1 (0.39) SLC29A1ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL11986991 0.79 SLC29A1 (0.48) SLC29A1PRUNE1ALDH1A1KDM4EMEN1
SCHEMBL11765015 0.78 ALDH1A1 (0.41) SLC29A1ALDH1A1GAACYP2D6TSHR
SCHEMBL436650 0.78 SLC29A1 (0.47) SLC29A1PRUNE1ALDH1A1KDM4EMEN1
SCHEMBL11766019 0.76 SLC29A1 (0.68) SLC29A1PRUNE1ALDH1A1KDM4EMEN1
SCHEMBL11767936 0.76 SLC29A1 (0.53) SLC29A1PRUNE1ALDH1A1KDM4EMEN1
SCHEMBL9785021 0.76 TSHR (0.48) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL6124092 0.75 SLC29A1 (0.44) SLC29A1PRUNE1ALDH1A1KDM4EMEN1

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-2615073-B1 Dispersion agent for inorganic particles CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2018-04-04 EP disclosed