SCHEMBL5971771

SCHEMBL5971771

O=C(Nc1nncs1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.65
MEN1 O00255 5/20 0.65
MAPT P10636 3/20 0.64
POLB P06746 1/20 0.64
ALDH1A1 P00352 7/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 1/20 0.62
RXFP1 Q9HBX9 2/20 0.61
NPC1 O15118 2/20 0.57
MAPK1 P28482 1/20 0.57
HPGD P15428 2/20 0.56
CHEK1 O14757 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
MAOA P21397 1/20 0.51

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
SCHEMBL29380722 0.76 ALDH1A1 (0.74) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL10625120 0.76 ALDH1A1 (0.74) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL8157997 0.73 RAB9A (0.63) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL9963857 0.72 KDM4E (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1152020 0.72 CHEK1 (1.00) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL3379803 0.72 AQP4 (0.70) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL3151374 0.72 ALDH1A1 (0.71) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL10850538 0.71 KMT2A (1.00) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL11667243 0.71 CHEK1 (0.97) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL3386406 0.71 CHEK1 (0.75) KMT2AMEN1MAPTALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
EP-1713457-A2 NOVEL DRUGS AND DIAGNOSTIC COMPOSITIONS FOR USE IN THE TREATMENT AND DIAGNOSIS OF NEURODEGENERATIVE DISEASES OR AMYLOID DISEASES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 2006-10-25 EP disclosed
WO-2005077343-A2 NOVEL DRUGS AND DIAGNOSTIC COMPOSITIONS FOR USE IN THE TREATMENT AND DIAGNOSIS OF NEURODEGENERATIVE DISEASES OR AMYLOID DISEASES Max-Delbrück-Centrum für Molekulare Medizin (DE) 2005-08-25 WO disclosed