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SCHEMBL10185877

SCHEMBL10185877

Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CS)c1cccc(F)c1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 16/20 0.78
▸ MEN1 O00255 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NCOA1 Q15788 1/20 0.50
▸ NCOA3 Q9Y6Q9 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL359676 0.91 IDH1 (0.78) IDH1MEN1NPC1KMT2ALMNA
SCHEMBL360507 0.91 IDH1 (0.78) IDH1MEN1NPC1KMT2ALMNA
SCHEMBL15118867 0.90 IDH1 (0.77) IDH1MEN1NPC1KMT2ALMNA
SCHEMBL12503189 0.90 IDH1 (0.77) IDH1MEN1NPC1KMT2ALMNA
SCHEMBL15118866 0.89 IDH1 (0.75) IDH1MEN1NPC1KMT2ALMNA
SCHEMBL15118864 0.89 IDH1 (0.75) IDH1MEN1NPC1KMT2ALMNA
SCHEMBL10185890 0.88 IDH1 (0.74) IDH1MEN1NPC1KMT2ALMNA
SCHEMBL15118906 0.88 IDH1 (1.00) IDH1MEN1NPC1KMT2A
SCHEMBL10183624 0.88 IDH1 (0.73) IDH1MEN1NPC1KMT2ALMNA
SCHEMBL15119039 0.88 IDH1 (0.73) IDH1MEN1NPC1KMT2ALMNA

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