SCHEMBL9846364

SCHEMBL9846364

O=C(Nc1ccccc1)C(C(=O)C(F)(F)F)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
HSP90AA1 P07900 2/20 0.45
GPR55 Q9Y2T6 1/20 0.45
POLB P06746 1/20 0.44
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
MEN1 O00255 4/20 0.41

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
SCHEMBL8530976 0.80 MAPT (0.56) MAPTHSP90AA1GPR55POLBMEN1
SCHEMBL7760594 0.76 MAPT (0.44) MAPTHSP90AA1GPR55POLBMEN1
SCHEMBL3192618 0.76 POLB (0.50) MAPTHSP90AA1GPR55POLBMEN1
SCHEMBL4364196 0.75 POLB (0.53) MAPTHSP90AA1GPR55POLBMEN1
SCHEMBL21626142 0.74 MAPT (0.54) MAPTHSP90AA1GPR55POLBPDK1
SCHEMBL8509314 0.74 ALDH1A1 (0.56) MAPTHSP90AA1GPR55POLBMEN1
SCHEMBL8752414 0.72 MAPT (0.48) MAPTPOLBHDAC2MEN1KMT2A
SCHEMBL28965007 0.72 POLB (0.50) MAPTHSP90AA1GPR55POLBMEN1
SCHEMBL28226450 0.72 POLB (0.50) MAPTHSP90AA1GPR55POLBMEN1
SCHEMBL7836270 0.72 MAPT (0.54) MAPTHSP90AA1GPR55POLBMEN1

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
EP-0456093-A2 Biguanide derivatives and biocidal compositions containing them H.B. FULLER LICENSING & FINANCING, INC. (US) 1991-11-13 EP disclosed