SCHEMBL16631258

SCHEMBL16631258

C[C@H]1O[C@@H](c2cc3nc(F)c(F)[nH]c-3nc2=O)[C@@H](O)C1O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33
HBB P68871 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32

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
SCHEMBL18080239 0.84 KDM4E (0.41) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631394 0.77 DGAT1 (0.34)
SCHEMBL18080191 0.75 KDM4E (0.40) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631315 0.75 KDM4E (0.40) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL18080249 0.74 P2RY2 (0.52)
SCHEMBL16631860 0.74 TSHR (0.33) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631605 0.72 SELP (0.32) SELLSELP
SCHEMBL18081677 0.72
SCHEMBL16631931 0.72 PARP1 (0.32)
SCHEMBL18080224 0.71 KDM4E (0.39) TSHRLMNAMAPTPMP22SMN1; SMN2

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