SCHEMBL16631876

SCHEMBL16631876

Cc1cc(F)c2cc([C@@H]3O[C@H](C)C(O)[C@@H]3O)c(=S)nc-2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PMP22 Q01453 1/20 0.32
HBB P68871 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SELL P14151 1/20 0.31
SELP P16109 1/20 0.31

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
SCHEMBL16631460 0.85 SLC5A2 (0.38) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631647 0.84
SCHEMBL16631650 0.77
SCHEMBL16631244 0.76 SELL (0.30) SELLSELP
SCHEMBL16631605 0.76 SELP (0.32) SELLSELP
SCHEMBL18080149 0.75 P2RY2 (0.51)
SCHEMBL16631391 0.74 OPRK1 (0.32) SELLSELP
SCHEMBL16631228 0.74 KDM4E (0.39) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631539 0.74 KDM4E (0.39) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631860 0.73 TSHR (0.33) 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