SCHEMBL8777036

SCHEMBL8777036

COC(C)C(=NO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
XBP1 P17861 1/20 0.40
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.37
ELANE P08246 1/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GFER P55789 1/20 0.35
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL4864675 0.82 KMT2A (0.51) KMT2AMEN1HPGDPOLBMAPT
SCHEMBL10041973 0.79 POLB (0.51) KMT2AMEN1HPGDPOLBMAPT
SCHEMBL266382 0.79 POLB (0.51) KMT2AMEN1HPGDPOLBMAPT
SCHEMBL10050934 0.79 POLB (0.51) KMT2AMEN1HPGDPOLBMAPT
SCHEMBL5918159 0.77 MEN1 (0.42) KMT2AMEN1HPGDPOLBMAPT
SCHEMBL11082940 0.75 MEN1 (0.41) KMT2AMEN1HPGDPOLBMAPT
SCHEMBL11082943 0.75 MEN1 (0.41) KMT2AMEN1HPGDPOLBMAPT
SCHEMBL27425745 0.73 MEN1 (0.47) KMT2AMEN1HPGDMAPTTSHR
SCHEMBL14253816 0.72 ALDH1A1 (0.41) KMT2AMEN1HPGDPOLBMAPT
SCHEMBL11292055 0.72 KMT2A (0.66) KMT2AMEN1MAPTPTGS2GAA

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-0800514-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1997-10-15 EP disclosed
WO-1996020926-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1996-07-11 WO disclosed