SCHEMBL5756424

SCHEMBL5756424

CN(C)CC(=O)Nc1cc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
GAA P10253 2/20 0.36
CYP2D6 P10635 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SLC2A1 P11166 1/20 0.33
TP53 P04637 1/20 0.33
ACHE P22303 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 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
SCHEMBL7952239 0.90 TP53 (0.41) KMT2AGAAALDH1A1MEN1TSHR
SCHEMBL5754016 0.85 ALDH1A1 (0.45) GAACYP2D6L3MBTL1POLBALDH1A1
SCHEMBL5802067 0.83 POLB (0.45) KMT2AGAACYP2D6L3MBTL1POLB
SCHEMBL5755361 0.82 ACHE (0.58) KMT2AGAACYP2D6L3MBTL1POLB
SCHEMBL5755654 0.81 ALDH1A1 (0.51) GAAL3MBTL1POLBALDH1A1TSHR
SCHEMBL7944633 0.79 TP53 (0.44) KMT2AGAAALDH1A1MEN1TSHR
SCHEMBL5753883 0.79 KMT2A (0.41) KMT2AGAAPOLBALDH1A1HSD17B10
SCHEMBL7956984 0.78 TP53 (0.41) KMT2AGAAALDH1A1MEN1TSHR
SCHEMBL5752911 0.76 KMT2A (0.41) KMT2AGAAPOLBALDH1A1HSD17B10
SCHEMBL29572389 0.76 KMT2A (0.41) KMT2AGAAPOLBALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915856-A4 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2006-04-12 EP disclosed
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
EP-0915856-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-05-19 EP disclosed
WO-1998004135-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 WO disclosed