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Sugi Predict / Compounds / SCHEMBL10184010

SCHEMBL10184010

SCHEMBL10184010

O=C1C(N(C(=O)CNc2cccnc2F)c2cccc(F)c2)c2ccccc2N1C1CCC(F)(F)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 13/20 0.35
▸ AGTR2 P50052 2/20 0.33
▸ ACKR3 P25106 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ BDKRB1 P46663 1/20 0.31
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL15137866 0.92 IDH1 (0.38) IDH1AGTR2
SCHEMBL10185908 0.90 IDH1 (0.35) IDH1AGTR2BDKRB1
SCHEMBL10184022 0.88 IDH1 (0.30) IDH1NPC1
SCHEMBL10183311 0.83 IDH1 (0.34) IDH1AGTR2NPC1
SCHEMBL10183312 0.83 AGTR2 (0.37) IDH1AGTR2NPC1
SCHEMBL10183229 0.82 IDH1 (0.38) IDH1AGTR2
SCHEMBL10183927 0.82 OPRM1 (0.36) IDH1AGTR2
SCHEMBL10183315 0.80 AGTR2 (0.35) IDH1AGTR2PARP1
SCHEMBL10184031 0.79 IDH1 (0.35) IDH1AGTR2
SCHEMBL10185918 0.79 IDH1 (0.31) IDH1

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
WO-2013107405-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2013-07-25 — — WO disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 — — WO disclosed
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