SCHEMBL28844856

SCHEMBL28844856

O=C(Nc1cccc(Br)c1)c1cccs1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.74
MEN1 O00255 6/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
MAPT P10636 3/20 0.68
KCNK3 O14649 2/20 0.67
KCNK9 Q9NPC2 2/20 0.67
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
USP2 O75604 1/20 0.59
GAA P10253 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
HTT P42858 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
SCHEMBL29684523 1.00 KMT2A (0.74) KMT2AMEN1SMN1; SMN2MAPTKCNK3
SCHEMBL23011772 0.89 KCNK3 (0.82) KMT2AMEN1SMN1; SMN2MAPTKCNK3
SCHEMBL10069478 0.81 KMT2A (0.67) KMT2AMEN1SMN1; SMN2MAPTKCNK3
SCHEMBL13874759 0.81 MAPT (1.00) KMT2AMEN1SMN1; SMN2MAPTKCNK3
SCHEMBL2529744 0.81 LMNA (0.69) KMT2AMEN1SMN1; SMN2MAPTKCNK3
SCHEMBL12496157 0.81 KCNK3 (0.82) KMT2AMEN1SMN1; SMN2MAPTKCNK3
SCHEMBL25351544 0.81 SMN1; SMN2 (0.68) KMT2AMEN1SMN1; SMN2MAPTKCNK3
SCHEMBL30535354 0.81 SMN1; SMN2 (0.68) KMT2AMEN1SMN1; SMN2MAPTKCNK3
SCHEMBL29684351 0.80 KCNK3 (0.74) KMT2AMEN1SMN1; SMN2MAPTKCNK3
SCHEMBL11077480 0.80 KCNK3 (0.78) KMT2AMEN1SMN1; SMN2MAPTKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114763347-A Compound for inducing mesenchymal stem cells to differentiate towards cartilage and application thereof 华东师范大学 2022-07-19 CN claimed
CN-114763347-B Compound for inducing mesenchymal stem cells to differentiate into cartilage and application thereof 华东师范大学 2024-06-21 CN disclosed
CN-114763347-A Compound for inducing mesenchymal stem cells to differentiate towards cartilage and application thereof 华东师范大学 2022-07-19 CN disclosed
CN-114763346-A Compound for inducing chondrogenesis and application thereof 华东师范大学 2022-07-19 CN disclosed