SCHEMBL19944607

SCHEMBL19944607

O=CCNC(=O)c1ccc2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.66
MAPT P10636 3/20 0.64
ALDH1A1 P00352 2/20 0.64
GAA P10253 2/20 0.64
HDAC8 Q9BY41 1/20 0.61
HPGD P15428 1/20 0.61
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
NPC1 O15118 2/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MGAM O43451 1/20 0.53
HTT P42858 1/20 0.52
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 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
SCHEMBL22819412 0.81 KDM4C (0.69) KDM4CMAPTALDH1A1GAAHDAC8
SCHEMBL5095301 0.81 ALDH1A1 (0.73) KDM4CMAPTALDH1A1GAAHDAC8
SCHEMBL1742676 0.81 KDM4C (0.69) KDM4CMAPTALDH1A1GAAHDAC8
SCHEMBL1220183 0.79 KDM4C (1.00) KDM4CMAPTALDH1A1GAAHDAC8
SCHEMBL17445798 0.79 ALDH1A1 (0.62) KDM4CMAPTALDH1A1GAAHDAC8
SCHEMBL29291517 0.79 HDAC8 (0.67) KDM4CMAPTALDH1A1GAAHDAC8
SCHEMBL2551255 0.78 ALDH1A1 (1.00) KDM4CMAPTALDH1A1GAAHDAC8
SCHEMBL19380241 0.78 ALDH1A1 (0.69) KDM4CMAPTALDH1A1GAAHDAC8
SCHEMBL10288646 0.78 ALDH1A1 (0.74) KDM4CMAPTALDH1A1GAAHDAC8
SCHEMBL13381527 0.78 HDAC8 (0.76) KDM4CMAPTALDH1A1GAAHDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023129737-A1 GLYCOMIMETIC LIGANDS AVICEDA THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
EP-2697246-B1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-03-07 EP disclosed