SCHEMBL17028022

SCHEMBL17028022

O=C(NO)C(C(=O)Nc1ccccc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 4/20 0.46
HSP90AA1 P07900 2/20 0.46
GPR55 Q9Y2T6 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 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
SCHEMBL14680248 0.78 POLB (0.55) HDAC2HDAC1HDAC8HDAC6HDAC3
SCHEMBL16181541 0.77 POLB (0.53) HDAC2HDAC1HDAC8HDAC6HDAC3
SCHEMBL3641542 0.75 MAPT (0.56) POLBMAPTHSP90AA1GPR55ALDH1A1
SCHEMBL11123690 0.75 MAPT (0.57) HDAC2HDAC1HDAC8HDAC6HDAC3
SCHEMBL13337463 0.73 POLB (0.53) HDAC2HDAC1HDAC8HDAC6HDAC3
SCHEMBL1703604 0.71 POLB (0.61) HDAC1POLBMAPTHSP90AA1GPR55
SCHEMBL7829245 0.71 MAPT (0.49) POLBMAPTHSP90AA1GPR55ALDH1A1
SCHEMBL9819108 0.71 POLB (0.47) POLBMAPTHSP90AA1GPR55ALDH1A1
SCHEMBL11879432 0.70 MEN1 (0.54) HDAC2HDAC1HDAC8HDAC6HDAC3
SCHEMBL21626142 0.69 MAPT (0.54) POLBMAPTHSP90AA1GPR55ALDH1A1

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-2015126930-A2 BOOSTER DRUG THERAPY FOR MYCOBACTERIUM INFECTIONS STC.UNM (US) 2015-08-27 WO claimed