SCHEMBL7698693

SCHEMBL7698693

CC(C)CC(=O)NNC(=O)C1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
NPY5R Q15761 4/20 0.52
ALDH1A1 P00352 5/20 0.51
GAA P10253 1/20 0.51
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2C9 P11712 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 3/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL5028418 0.79 KMT2A (0.70) KMT2AMEN1NPY5RALDH1A1POLB
SCHEMBL5028416 0.79 KMT2A (0.70) KMT2AMEN1NPY5RALDH1A1POLB
SCHEMBL5025740 0.79 KMT2A (0.56) KMT2AMEN1ALDH1A1GAACYP2C9
SCHEMBL5025742 0.79 KMT2A (0.56) KMT2AMEN1ALDH1A1GAACYP2C9
SCHEMBL7698607 0.75 KMT2A (0.58) KMT2AMEN1NPY5RALDH1A1GAA
SCHEMBL5025754 0.73 MEN1 (0.60) KMT2AMEN1ALDH1A1CYP3A4CYP2C19
SCHEMBL5025758 0.73 MEN1 (0.60) KMT2AMEN1ALDH1A1CYP3A4CYP2C19
SCHEMBL7700849 0.72 ALDH1A1 (0.72) KMT2AMEN1NPY5RALDH1A1POLB
SCHEMBL7697188 0.72 NPY5R (0.67) KMT2AMEN1NPY5RALDH1A1POLB
SCHEMBL7702562 0.71 NPY5R (0.61) KMT2AMEN1NPY5RALDH1A1CYP2C9

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-2002057220-A1 HYDRAZIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2002-07-25 WO disclosed