SCHEMBL19204773

SCHEMBL19204773

O=C(O)CNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.73
ALDH1A1 P00352 8/20 0.73
MAPT P10636 8/20 0.73
KDM4E B2RXH2 5/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
GAA P10253 2/20 0.73
MITF O75030 1/20 0.73
LMNA P02545 1/20 0.73
HTT P42858 1/20 0.73
MEN1 O00255 9/20 0.71
HPGD P15428 2/20 0.71
NPSR1 Q6W5P4 1/20 0.71
MCL1 Q07820 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
TP53 P04637 2/20 0.63
USP2 O75604 1/20 0.63
MAPK1 P28482 1/20 0.63
UBE2N P61088 1/20 0.62
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58

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
SCHEMBL6677490 0.86 KMT2A (0.89) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL5330487 0.86 KMT2A (0.77) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6680344 0.84 KMT2A (0.81) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6680850 0.83 ALDH1A1 (1.00) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6680632 0.80 AURKA (0.76) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL17681386 0.80 KMT2A (0.74) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6689240 0.80 ALDH1A1 (1.00) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6670517 0.79 ALDH1A1 (0.69) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6680626 0.78 ALDH1A1 (0.83) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3654030 0.78 KMT2A (1.00) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2

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-2017135786-A1 NOVEL AMIDE COMPOUND AND USE THEREOF 연세대학교 산학협력단 2017-08-10 WO disclosed