SCHEMBL1429908

SCHEMBL1429908

COc1ccc(N(CC(=O)C(F)(F)F)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RNF4 P78317 1/20 0.45
TSHR P16473 1/20 0.44
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
BCL2A1 Q16548 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3225600 0.83 L3MBTL1 (0.39) RNF4TSHRKEAP1NFE2L2BCL2A1
SCHEMBL5702218 0.77 RNF4 (0.51) RNF4TSHRKEAP1NFE2L2BCL2A1
SCHEMBL15054523 0.77 RNF4 (0.49) RNF4TSHRKEAP1NFE2L2BCL2A1
SCHEMBL7044788 0.74 TSHR (0.51) RNF4TSHRKEAP1NFE2L2BCL2A1
SCHEMBL15054037 0.74 LTB4R2 (0.50) RNF4TSHRKEAP1NFE2L2BCL2A1
SCHEMBL17628547 0.73 RNF4 (0.58) RNF4TSHRKEAP1NFE2L2BCL2A1
SCHEMBL249712 0.73 RNF4 (0.48) RNF4TSHRBCL2A1TRPM8ALDH1A1
SCHEMBL7106756 0.71 KEAP1 (0.55) RNF4TSHRKEAP1NFE2L2KMT2A
SCHEMBL1337080 0.71 USP2 (0.60) RNF4TSHRBCL2A1TRPM8ALDH1A1
SCHEMBL19036616 0.71 TSHR (0.42) RNF4TSHRKEAP1NFE2L2BCL2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2010030727-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-03-18 WO disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed