SCHEMBL16631635

SCHEMBL16631635

C[C@H]1O[C@@H](n2cc(-c3cn(-c4ccccc4)nn3)c(=O)[nH]c2=O)[C@@H](O)C1O

nearest known ligand 0.52

Predicted protein targets (top 9)

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 7/20 0.46
ADK P55263 8/20 0.40
PIK3CA P42336 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
SCHEMBL16631274 0.82 TSHR (0.52) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631203 0.82 TSHR (0.49) TSHRLMNAMAPTPMP22HBB
SCHEMBL18080016 0.78 P2RY2 (0.60) P2RY2
SCHEMBL18081589 0.76 P2RY2 (0.46) P2RY2
SCHEMBL16631901 0.74 PIK3CA (0.43) PIK3CA
SCHEMBL18080361 0.72 MET (0.49) PIK3CA
SCHEMBL16631541 0.71 P2RY2 (0.55) P2RY2
SCHEMBL16774560 0.70 LMNA (0.72) TSHRLMNAMAPTPMP22HBB
SCHEMBL16774561 0.70 LMNA (0.72) TSHRLMNAMAPTPMP22HBB
SCHEMBL6909337 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