SCHEMBL20982002

SCHEMBL20982002

Oc1ccc(Br)cc1/C=N/Nc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 1.00
MEN1 O00255 9/20 1.00
HSP90AA1 P07900 2/20 1.00
MAPT P10636 10/20 0.65
GAA P10253 7/20 0.65
KDM4E B2RXH2 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
LMNA P02545 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
HTT P42858 2/20 0.65
TP53 P04637 1/20 0.65
ADAM17 P78536 1/20 0.65
NCOA1 Q15788 1/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64
RAB9A P51151 5/20 0.62
NPC1 O15118 5/20 0.62
CASP3 P42574 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62

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
SCHEMBL15742301 1.00 KMT2A (1.00) KMT2AMEN1HSP90AA1MAPTGAA
SCHEMBL12807528 0.84 MEN1 (0.72) KMT2AMEN1HSP90AA1MAPTGAA
SCHEMBL18591317 0.84 GAA (0.76) KMT2AMEN1HSP90AA1MAPTGAA
SCHEMBL20982004 0.84 GAA (0.76) KMT2AMEN1HSP90AA1MAPTGAA
SCHEMBL12218014 0.83 NCOA1 (0.74) KMT2AMEN1HSP90AA1MAPTGAA
SCHEMBL6712644 0.83 NCOA1 (0.74) KMT2AMEN1HSP90AA1MAPTGAA
SCHEMBL15741122 0.83 KMT2A (0.70) KMT2AMEN1HSP90AA1MAPTGAA
SCHEMBL12807606 0.83 KMT2A (0.70) KMT2AMEN1HSP90AA1MAPTGAA
SCHEMBL12807532 0.82 KMT2A (0.69) KMT2AMEN1HSP90AA1MAPTGAA
SCHEMBL19419875 0.81 KMT2A (0.67) KMT2AMEN1HSP90AA1MAPTGAA

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
EP-2922541-B1 PYRIDYL HYDRAZONES FOR THE TREATMENT OF TUBERCULOSIS AND RELATED DISEASES TECNIMEDE SOCIEDADE TECNICO MEDICINAL S (PT) 2019-05-22 EP claimed
EP-2922541-B1 PYRIDYL HYDRAZONES FOR THE TREATMENT OF TUBERCULOSIS AND RELATED DISEASES TECNIMEDE SOCIEDADE TECNICO MEDICINAL S (PT) 2019-05-22 EP disclosed