SCHEMBL8560317

SCHEMBL8560317

CCOC(=O)c1cnc2ncc(OCC)cc2c1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 8/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
DPP4 P27487 5/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.41

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
Water SCHEMBL8560641 0.85 MAPT (0.45) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL620724 0.82 MAPT (0.61) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8327645 0.81 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL8566663 0.78 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL8565920 0.77 DPP4 (0.52) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8322999 0.76 KMT2A (0.58) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5929779 0.76 KMT2A (0.54) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL9875486 0.76 KMT2A (0.60) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL2022576 0.76 KMT2A (0.60) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL544894 0.75 MAPT (0.62) KMT2AMEN1MAPTALDH1A1LMNA

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-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed