SCHEMBL4083197

SCHEMBL4083197

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3cccs3)c2o1)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
MAPK1 P28482 3/20 0.41
KMT2A Q03164 7/20 0.39
MEN1 O00255 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
RECQL P46063 1/20 0.39
ABL1 P00519 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GAPDH P04406 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL13850061 0.90 AURKA (0.46) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4088416 0.89 LMNA (0.42) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4082088 0.89 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4083272 0.87 APLNR (0.47) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4088294 0.84 RAB9A (0.41) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL651489 0.84 RXFP1 (0.47) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4086290 0.81 MAPT (0.40) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4083484 0.81 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4078670 0.79 AURKA (0.44) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4084047 0.77 AURKA (0.42)

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
EP-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed