SCHEMBL17825943

SCHEMBL17825943

COc1ccccc1CNc1ncnc2nc(C3C[C@H](O)[C@@H](CO)O3)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
HSD17B10 Q99714 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.39
TNF P01375 1/20 0.39
KMT2A Q03164 1/20 0.39
NOD1 Q9Y239 1/20 0.39
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 5/20 0.39
CYP2D6 P10635 5/20 0.39
CYP2C19 P33261 5/20 0.39
ALDH1A1 P00352 5/20 0.39
CLK4 Q9HAZ1 4/20 0.39
CYP2C9 P11712 3/20 0.39
LMNA P02545 2/20 0.39
HIF1A Q16665 2/20 0.39
USP2 O75604 2/20 0.39
KDM4E B2RXH2 3/20 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
SCHEMBL17825908 0.83 SLC28A2 (0.44) SMN1; SMN2TP53MAPK1LMNAAURKA
SCHEMBL17825952 0.80 CSF1R (0.43) TSHRTP53MAPK1CYP1A2CYP2D6
SCHEMBL17826004 0.79 CDC7 (0.49) EGFRADORA2AADORA3
SCHEMBL4279999 0.74 GRIN2B (0.41) SMN1; SMN2TP53LMNAHIF1ARXFP1
SCHEMBL12541692 0.73 HIF1A (0.33) SMN1; SMN2TP53LMNAHIF1ARXFP1
SCHEMBL19583025 0.72 SLC29A1 (0.61) TSHRHIF1AADORA2AADORA3
SCHEMBL30410931 0.68 TSHR (1.00) TSHRHSD17B10SMN1; SMN2TP53MAPK1
SCHEMBL1442843 0.68 TSHR (1.00) TSHRHSD17B10SMN1; SMN2TP53MAPK1
SCHEMBL7204775 0.68 ADRB1 (0.32)
SCHEMBL19244785 0.66 TSHR (0.60) TSHRHSD17B10SMN1; SMN2TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229772-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2017-10-18 EP claimed
WO-2016091236-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2016-06-16 WO claimed