SCHEMBL6451102

SCHEMBL6451102

O=C(O)Cn1nc(CCO)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.60
ALOX15 P16050 2/20 0.51
TSHR P16473 1/20 0.50
GLA P06280 1/20 0.47
KDM4E B2RXH2 3/20 0.47
CMA1 P23946 2/20 0.47
ROCK1 Q13464 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
APEX1 P27695 1/20 0.44
MAPT P10636 1/20 0.43
AKR1B1 P15121 2/20 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
SCHEMBL3354746 0.83 HSD17B10 (0.61) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL3426837 0.80 SLC16A3 (0.55) HSD17B10ALOX15KDM4EHPGDALDH1A1
SCHEMBL22061005 0.79 HSD17B10 (0.57) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL3905353 0.78 HSD17B10 (0.67) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL14631512 0.78 HSD17B10 (0.67) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL19236720 0.77 HSD17B10 (0.55) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL31481214 0.76 HSD17B10 (0.65) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL3354341 0.76 HSD17B10 (0.65) HSD17B10ALOX15GLAKDM4EHPGD
SCHEMBL28726087 0.76 HSD17B10 (0.65) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL13281112 0.76 TSHR (0.61) HSD17B10ALOX15TSHRCMA1LMNA

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
WO-2012065062-A1 NOVEL ANTIVIRAL COMPOUNDS PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) 2012-05-18 WO disclosed