SCHEMBL7276139

SCHEMBL7276139

O=C(Nc1cccc(CBr)c1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
PDK1 Q15118 2/20 0.54
PDK2 Q15119 2/20 0.54
PDK3 Q15120 2/20 0.54
PDK4 Q16654 2/20 0.54
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
PARP1 P09874 1/20 0.52
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL14041043 0.85 L3MBTL1 (0.61) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL28182250 0.85 PDK1 (0.71) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL15601887 0.84 HDAC3 (0.72) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL27673183 0.84 L3MBTL1 (0.59) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL1819254 0.83 L3MBTL1 (0.58) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL1817463 0.83 L3MBTL1 (0.58) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL20981664 0.82 L3MBTL1 (0.82) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL1405174 0.82 L3MBTL1 (0.61) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL1815821 0.80 L3MBTL1 (0.55) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL10756329 0.80 ITGB3 (0.55) L3MBTL1PDK1PDK2PDK3PDK4

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-0505893-B1 Imidazopyridines MERCK PATENT GMBH (DE) 2000-06-21 EP disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0546449-A2 Benzofuranderivatives as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-06-16 EP disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP disclosed