SCHEMBL7697188

SCHEMBL7697188

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.67
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP2C9 P11712 1/20 0.56
LMNA P02545 3/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53

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
SCHEMBL7698607 0.86 KMT2A (0.58) NPY5RKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL7702562 0.85 NPY5R (0.61) NPY5RKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL3012277 0.82 GBA1 (0.69) NPY5RKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL7698612 0.77 NPY5R (0.77) NPY5RKMT2AMEN1ALDH1A1LMNA
SCHEMBL7971363 0.76 NPY5R (0.58) NPY5RKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL31743772 0.76 KMT2A (0.60) NPY5RKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL14606676 0.75 GBA1 (0.59) NPY5RKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL14606725 0.75 GBA1 (0.59) NPY5RKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL7698041 0.75 KMT2A (0.67) NPY5RKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL7971400 0.75 NPY5R (0.72) NPY5RKMT2AMEN1ALDH1A1POLB

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