SCHEMBL21670580

SCHEMBL21670580

O=C(Nc1ccc(Cl)c(F)c1)[C@H]1CCCN(S(=O)(=O)C2CCCCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 4/20 0.54
GAA P10253 4/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 4/20 0.53
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL21670306 0.87 GAA (0.64) KMT2ALMNAMAPTGAAHTT
SCHEMBL21669786 0.87 GAA (0.64) KMT2ALMNAMAPTGAAHTT
SCHEMBL21670501 0.86 TP53 (0.56) KMT2ALMNAMAPTGAAHTT
SCHEMBL21669813 0.86 TP53 (0.56) KMT2ALMNAMAPTGAAHTT
SCHEMBL21669831 0.85 KMT2A (0.56) KMT2ALMNAMAPTGAAHTT
SCHEMBL21669818 0.84 LMNA (0.67) KMT2ALMNAMAPTGAAHTT
SCHEMBL21670358 0.84 LMNA (0.67) KMT2ALMNAMAPTGAAHTT
SCHEMBL21669827 0.83 LMNA (0.64) KMT2ALMNAMAPTGAAHTT
SCHEMBL21670364 0.82 KMT2A (0.76) KMT2ALMNAMAPTGAAHTT
SCHEMBL2241850 0.82 ALDH1A1 (0.60) KMT2ALMNAHTTMEN1HPGD

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-2020028482-A1 SMALL MOLECULES THAT SENSITIZE HIV-1 INFECTED CELLS TO ANTIBODY DEPENDENT CELLULAR CYTOTOXICITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-02-06 WO disclosed