SCHEMBL16631504

SCHEMBL16631504

C[C@H]1O[C@@H](n2cc3c(=O)cc(C(F)(F)F)[nH]c3nc2=O)[C@@H](O)C1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
PMP22 Q01453 1/20 0.44
HBB P68871 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADK P55263 9/20 0.34
ADORA3 P0DMS8 2/20 0.34
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
CRHBP P24387 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL16631419 0.85 LMNA (0.46) LMNAMAPTPMP22HBBSMN1; SMN2
SCHEMBL16631421 0.84 LMNA (0.44) LMNAMAPTTSHRPMP22HBB
SCHEMBL16631656 0.78 LMNA (0.53) LMNAMAPTTSHRPMP22HBB
SCHEMBL16631886 0.77 LMNA (0.49) LMNAMAPTTSHRPMP22HBB
SCHEMBL18080286 0.76 P2RY2 (0.55)
SCHEMBL16631636 0.76 PYGM (0.41) LMNAMAPTPMP22HBBSMN1; SMN2
SCHEMBL16631355 0.75 LMNA (0.52) LMNAMAPTTSHRPMP22HBB
SCHEMBL18081878 0.75 P2RY6 (0.33)
SCHEMBL16631376 0.74 LMNA (0.51) LMNAMAPTTSHRPMP22HBB
SCHEMBL16631667 0.73 LMNA (0.49) LMNAMAPTTSHRPMP22HBB

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