SCHEMBL8564446

SCHEMBL8564446

CCOC(=O)c1cnc2nc(C(F)(F)F)ccc2c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
KDM4E B2RXH2 4/20 0.48
NFKB1 P19838 4/20 0.43
FOS P01100 3/20 0.43
JUN P05412 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATF1 P18846 1/20 0.41
MAPK1 P28482 3/20 0.41
USP2 O75604 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
PDE6D O43924 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
SCHEMBL8568056 0.87 KDM4E (0.49) KMT2AMEN1KDM4ENFKB1FOS
SCHEMBL2022576 0.84 KMT2A (0.60) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL9875486 0.84 KMT2A (0.60) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL8322999 0.81 KMT2A (0.58) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL23144946 0.81 KMT2A (0.57) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL29843236 0.81 KMT2A (0.57) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL8565871 0.77 PDE4B (0.58) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL9588785 0.77 KDM4E (0.47) KDM4EALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL8564590 0.76 PDE4B (0.57) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL429137 0.76 PDE5A (0.60) KMT2AMEN1KDM4ENFKB1NPC1

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