SCHEMBL8177271

SCHEMBL8177271

CC(C)(CF)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
MAPT P10636 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
HTT P42858 3/20 0.62
MAPK1 P28482 2/20 0.62
HPGD P15428 2/20 0.62
GAA P10253 2/20 0.56
KDM4E B2RXH2 1/20 0.55
POLB P06746 2/20 0.54
ALDH1A1 P00352 4/20 0.52
THRB P10828 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
TGM2 P21980 1/20 0.50
GLA P06280 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL7063751 0.83 KMT2A (0.85) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL8410636 0.82 KMT2A (0.68) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL8407518 0.81 KMT2A (0.66) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL12894525 0.81 KMT2A (0.66) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL3832753 0.80 KMT2A (0.65) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL11661063 0.79 MAPT (0.59) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL10420551 0.78 KMT2A (0.61) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL8462705 0.77 MEN1 (0.65) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7956933 0.77 MAPT (0.52) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL8321463 0.76 PDK1 (0.61) KMT2AMEN1MAPTSMN1; SMN2HTT

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-2000068186-A1 BIS-SULFONAMIDE WITH ANTI-HCMV EFFECT BAYER AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed