SCHEMBL6137861

SCHEMBL6137861

CCN1C=Nc2c(ncn2[C@@H]2O[C@H](CO)C(O)C2O)C1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 4/20 0.58
AMPD3 Q01432 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
HTT P42858 2/20 0.46
BLM P54132 2/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
DNMT1 P26358 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
HBB P68871 1/20 0.46
PMP22 Q01453 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL3287578 0.88 ADA (0.55) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL8018528 0.86 ADA (0.56) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL41684 0.86 ADA (0.61) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL5555999 0.85 ADA (0.63) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL3819355 0.84 ADA (0.53) ADATP53TDP1
SCHEMBL5983456 0.84 ADA (0.53) ADATP53TDP1
SCHEMBL8018401 0.83 ATIC (0.52) SMN1; SMN2
SCHEMBL15348425 0.82 ADA (0.60) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL5503468 0.80 ADA (0.48) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL8840658 0.80 ADA (0.60) ADAAMPD3ALDH1A1TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1116032-A4 GPR10 AS A TARGET FOR IDENTIFYING WEIGHT MODULATING COMPOUNDS MILLENNIUM PHARM INC (US) 2005-08-17 EP disclosed
EP-1116032-A1 GPR10 AS A TARGET FOR IDENTIFYING WEIGHT MODULATING COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2001-07-18 EP disclosed
WO-2000017641-A1 GPR10 AS A TARGET FOR IDENTIFYING WEIGHT MODULATING COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-03-30 WO disclosed