SCHEMBL8628278

SCHEMBL8628278

CCCOc1ccc(NC=C(C(=O)OCC)C(=O)OCC)nc1C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 5/20 0.56
NPSR1 Q6W5P4 4/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
DHODH Q02127 5/20 0.48
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
STAT1 P42224 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8328902 0.91 MEN1 (0.62) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL8561111 0.86 MEN1 (0.62) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL8563929 0.85 MEN1 (0.52) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL1020567 0.82 MEN1 (0.67) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL8560339 0.80 MEN1 (0.48) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL8560341 0.80 MEN1 (0.48) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL7603202 0.80 MEN1 (0.64) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL10862774 0.77 MEN1 (0.86) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL1023541 0.74 MEN1 (1.00) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL10863245 0.73 MEN1 (0.66) MEN1KMT2AMAPTNPSR1KDM4E

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
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
EP-0618916-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed