SCHEMBL11375845

SCHEMBL11375845

CCC(=O)C1C(=O)NC(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C19 P33261 5/20 0.47
ELANE P08246 3/20 0.45
NPSR1 Q6W5P4 1/20 0.43
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CTRC Q99895 1/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL11375289 0.89 EP300 (0.50) EP300MEN1KMT2ACYP2C19ELANE
SCHEMBL14656853 0.78 EP300 (0.51) EP300MEN1KMT2ACYP2C19ELANE
SCHEMBL5252516 0.77 MEN1 (0.53) EP300MEN1KMT2ACYP2C19ELANE
SCHEMBL7839682 0.74 LMNA (0.36) EP300MEN1KMT2APOLBALDH1A1
SCHEMBL7847859 0.74 ALDH1A1 (0.52) EP300MEN1KMT2ACYP2C19ELANE
SCHEMBL16859923 0.73 KMT2A (0.51) EP300MEN1KMT2ACYP2C19ELANE
SCHEMBL7844009 0.73 EP300 (0.66) EP300MEN1KMT2ACYP2C19ELANE
SCHEMBL66999 0.73 MEN1 (0.51) EP300MEN1KMT2ACYP2C19ELANE
SCHEMBL1263711 0.72 MEN1 (0.50) EP300MEN1KMT2ACYP2C19ELANE
SCHEMBL1264158 0.72 MEN1 (0.50) EP300MEN1KMT2ACYP2C19ELANE

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
US-4260776-A PYRAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed