SCHEMBL7329347

SCHEMBL7329347

CN(c1ccccc1)S(=O)(=O)c1cccc(OCC(=O)Nc2ccncc2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.70
POLB P06746 3/20 0.70
LMNA P02545 4/20 0.60
F2 P00734 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 2/20 0.57
TP53 P04637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 4/20 0.56
MAPK1 P28482 1/20 0.55
TSHR P16473 1/20 0.55
GALR3 O60755 2/20 0.55
STAT3 P40763 1/20 0.55
HSP90AA1 P07900 1/20 0.54

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
SCHEMBL7333893 0.88 KMT2A (0.68) KMT2AMEN1POLBLMNAF2
SCHEMBL7329809 0.87 F2 (0.70) KMT2AMEN1POLBLMNAF2
SCHEMBL8545052 0.84 MAPT (0.58) KMT2AMEN1POLBLMNAF2
SCHEMBL8547111 0.84 KMT2A (0.66) KMT2AMEN1POLBLMNAF2
SCHEMBL8542584 0.83 KMT2A (0.60) KMT2AMEN1POLBLMNAF2
SCHEMBL8547209 0.81 F2 (0.88) F2
SCHEMBL8547733 0.81 MAPT (0.71) KMT2AMEN1POLBLMNAF2
SCHEMBL7327957 0.81 MEN1 (0.58) KMT2AMEN1POLBLMNAF2
SCHEMBL7360099 0.80 LMNA (0.55) KMT2AMEN1POLBLMNAF2
SCHEMBL7334463 0.80 LMNA (0.67) KMT2AMEN1POLBLMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed
EP-0687253-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME Roche Diagnostics GmbH (DE) 1995-12-20 EP disclosed
WO-1994020467-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1994-09-15 WO disclosed