SCHEMBL16631203

SCHEMBL16631203

C[C@H]1O[C@@H](n2cc(Cc3cn(-c4ccccc4)nn3)c(=O)[nH]c2=O)[C@@H](O)C1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PMP22 Q01453 1/20 0.49
HBB P68871 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
P2RY2 P41231 2/20 0.40
TK2 O00142 1/20 0.39
TK1 P04183 1/20 0.39
NOTUM Q6P988 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DNPH1 O43598 1/20 0.38
ESRRA P11474 1/20 0.37
CD74 P04233 1/20 0.37
MIF P14174 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
NPC1 O15118 1/20 0.36
MAOA P21397 1/20 0.36
AMY1A P0DUB6 1/20 0.36

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
SCHEMBL16631584 0.88 PYGM (0.51) P2RY2TK2TK1DNPH1PYGM
SCHEMBL16631531 0.82 TSHR (0.53) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631213 0.82 ADK (0.39) LMNANOTUML3MBTL1ESRRACD74
SCHEMBL16631635 0.82 TSHR (0.52) TSHRLMNAMAPTPMP22HBB
SCHEMBL18080024 0.79 P2RY2 (0.57) P2RY2DNPH1
SCHEMBL16631690 0.76 L3MBTL1 (0.47) SMN1; SMN2NOTUML3MBTL1ESRRACD74
SCHEMBL18464477 0.76 TSHR (0.69) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631317 0.75 TSHR (0.53) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631274 0.74 TSHR (0.52) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631629 0.73 PYGM (0.52) P2RY2TK2TK1DNPH1PYGM

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