SCHEMBL7698607

SCHEMBL7698607

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
POLB P06746 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPY5R Q15761 3/20 0.54
ALDH1A1 P00352 5/20 0.54
CYP2C9 P11712 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
THRB P10828 1/20 0.53
LMNA P02545 4/20 0.53
TP53 P04637 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL7697188 0.86 NPY5R (0.67) KMT2AMEN1POLBCYP3A4CYP2C19
SCHEMBL4390037 0.80 KMT2A (0.60) KMT2AMEN1POLBCYP3A4CYP2C19
SCHEMBL4390035 0.80 KMT2A (0.60) KMT2AMEN1POLBCYP3A4CYP2C19
SCHEMBL4007108 0.79 GBA1 (0.56) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL7698803 0.78 KMT2A (0.62) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL7698612 0.75 NPY5R (0.77) KMT2AMEN1POLBNPY5RALDH1A1
SCHEMBL7698693 0.75 KMT2A (0.52) KMT2AMEN1POLBCYP3A4CYP2C19
SCHEMBL13590685 0.74 ACACB (0.70) KMT2AMEN1POLBCYP3A4CYP2C19
SCHEMBL7971400 0.73 NPY5R (0.72) KMT2AMEN1POLBNPY5RALDH1A1
SCHEMBL7700849 0.73 ALDH1A1 (0.72) KMT2AMEN1POLBNPY5RALDH1A1

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