SCHEMBL7449653

SCHEMBL7449653

COc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
AR P10275 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL3667525 0.79 KMT2A (0.48) ALDH1A1MAPK1LMNAHTTAR
SCHEMBL3990234 0.78 TDP1 (0.47) ALDH1A1MAPK1LMNAHTTSMN1; SMN2
SCHEMBL8498625 0.78 KMT2A (0.64) ALDH1A1LMNAARKMT2AMEN1
SCHEMBL2559496 0.75 RXFP1 (0.60) ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL2090122 0.73 CA2 (0.57) ALDH1A1
SCHEMBL1773322 0.73 CMA1 (0.60) ALDH1A1MAPK1LMNAHTTAR
SCHEMBL28552779 0.72 AR (0.54) ALDH1A1ARSMN1; SMN2KMT2AMEN1
SCHEMBL28550434 0.71 AR (0.56) ALDH1A1MAPK1LMNAHTTAR
SCHEMBL22712813 0.70 LTA4H (0.46)
SCHEMBL25137282 0.69 HDAC6 (0.56) LMNAHTTARSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001930-A2 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 2000-05-24 EP disclosed
WO-1999006361-A2 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1999-02-11 WO disclosed