SCHEMBL16631274

SCHEMBL16631274

C[C@H]1O[C@@H](n2cc(-n3cc(-c4ccccc4)nn3)c(=O)[nH]c2=O)[C@@H](O)C1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
PMP22 Q01453 1/20 0.52
HBB P68871 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
P2RY2 P41231 4/20 0.44
TK2 O00142 2/20 0.42
TK1 P04183 1/20 0.42
ADK P55263 5/20 0.40
ADORA3 P0DMS8 1/20 0.39
BCHE P06276 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
LDHA P00338 1/20 0.37

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
SCHEMBL16631494 0.86 P2RY2 (0.54) P2RY2TK2TK1ADORA3
SCHEMBL16631635 0.82 TSHR (0.52) TSHRLMNAMAPTPMP22HBB
SCHEMBL18080029 0.78 P2RY2 (0.60) P2RY2
SCHEMBL16631321 0.74 BCHE (0.50) TSHRLMNATK2TK1BCHE
SCHEMBL16631203 0.74 TSHR (0.49) TSHRLMNAMAPTPMP22HBB
SCHEMBL18080388 0.72 BCHE (0.47) TSHRLMNABCHEABCB1ABCG2
SCHEMBL16631370 0.71 ADORA3 (0.53) P2RY2TK2TK1ADORA3
SCHEMBL6909337 0.70 LMNA (0.72) TSHRLMNAMAPTPMP22HBB
SCHEMBL10323532 0.70 LMNA (0.72) TSHRLMNAMAPTPMP22HBB
SCHEMBL16774561 0.70 LMNA (0.72) TSHRLMNAMAPTPMP22HBB

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed