SCHEMBL8568056

SCHEMBL8568056

CCOC(=O)c1cnc2nc(C(F)(F)F)ccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
FOS P01100 3/20 0.44
JUN P05412 3/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL8564446 0.87 KMT2A (0.55) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL2650510 0.84 L3MBTL1 (0.36) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL1905334 0.83 KMT2A (0.49) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL8327448 0.81 NPC1 (0.44) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL9874630 0.81 KMT2A (0.50) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL29531900 0.81 KDM4E (0.49) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL2649173 0.80 TAS2R14 (0.39) GAATGFBR1
SCHEMBL23145042 0.80 KMT2A (0.44) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL1906531 0.80 ALDH1A1 (0.44) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL29843352 0.80 KMT2A (0.44) KDM4EKMT2ANPC1RAB9AMEN1

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