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Sugi Predict / Compounds / SCHEMBL1708024

SCHEMBL1708024

SCHEMBL1708024

CCc1nc2ccccc2n1-c1cccc2c1OC[C@H]2N(C(=O)C(F)(F)F)c1ccc2c(c1)OC[C@H]2CC(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ FFAR1 O14842 16/20 0.33
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL1707975 1.00 LMNA (0.34) LMNAFFAR1TSHRHTTSMN1; SMN2
SCHEMBL1708117 0.93 LMNA (0.35) LMNAFFAR1TSHRSMN1; SMN2
SCHEMBL1707935 0.93 LMNA (0.35) LMNAFFAR1TSHRSMN1; SMN2
SCHEMBL1708047 0.93 LMNA (0.35) LMNAFFAR1TSHRSMN1; SMN2
SCHEMBL1708086 0.93 FFAR1 (0.33) LMNAFFAR1
SCHEMBL1708643 0.93 FFAR1 (0.33) LMNAFFAR1
SCHEMBL10009590 0.92 FFAR1 (0.35) FFAR1
SCHEMBL10010151 0.92 FFAR1 (0.35) FFAR1
SCHEMBL1708234 0.92 FFAR1 (0.35) FFAR1
SCHEMBL1708629 0.92 FFAR1 (0.35) LMNAFFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 — — EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 — — WO disclosed