SCHEMBL6137853

SCHEMBL6137853

CCN1CN=c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=C1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
BLM P54132 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
NFKB1 P19838 1/20 0.44
DNMT1 P26358 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
HBB P68871 1/20 0.44
PMP22 Q01453 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43
ADA P00813 1/20 0.43

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
SCHEMBL3287568 0.88 ALDH1A1 (0.43) ALDH1A1HTTBLMKDM4ESMN1; SMN2
SCHEMBL41683 0.86 KDM4E (0.47) ALDH1A1HTTBLMKDM4ESMN1; SMN2
SCHEMBL8029815 0.86 ALDH1A1 (0.43) ALDH1A1HTTBLMKDM4ESMN1; SMN2
SCHEMBL3819352 0.85 SLC29A1 (0.47) TSHRTP53NFKB1THPOTDP1
SCHEMBL8840651 0.79 ALDH1A1 (0.45) ALDH1A1HTTBLMKDM4ESMN1; SMN2
SCHEMBL5317002 0.79 TP53 (0.50) ALDH1A1HTTBLMKDM4ESMN1; SMN2
SCHEMBL40771 0.79 TP53 (0.50) ALDH1A1HTTBLMKDM4ESMN1; SMN2
SCHEMBL15324871 0.78 ALDH1A1 (0.42) ALDH1A1HTTBLMKDM4ESMN1; SMN2
SCHEMBL4229799 0.78 ALDH1A1 (0.44) ALDH1A1HTTBLMKDM4ESMN1; SMN2
SCHEMBL16333894 0.78 TP53 (0.45) ALDH1A1HTTBLMKDM4ESMN1; 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 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