SCHEMBL5872500

SCHEMBL5872500

CN(C)c1cc(Oc2cccc3cc(C(=O)O)n(C)c23)ccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.40
MCL1 Q07820 2/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
PPARG P37231 7/20 0.36
SRD5A2 P31213 2/20 0.36
SRD5A1 P18405 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PROKR1 Q8TCW9 2/20 0.35
CCR2 P41597 1/20 0.34
GPR35 Q9HC97 1/20 0.33
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33

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
SCHEMBL4048516 0.84 PPARG (0.46) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL5117903 0.84 PPARG (0.39) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL4049554 0.83 MCL1 (0.44) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL5124452 0.83 PPARG (0.40) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL5125532 0.83 PPARG (0.48) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL5123585 0.82 MCL1 (0.40) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL14276282 0.81 GFER (0.39) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL5111493 0.81 BRAF (0.51) PYGLPYGM
SCHEMBL5119451 0.80 RAF1 (0.35) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL5125400 0.80 PPARG (0.39) GFERMCL1KDM4EALDH1A1HPGD

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
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 US claimed