SCHEMBL7003480

SCHEMBL7003480

CCOC(=O)c1cn(-c2cc(NC=O)c(F)cc2F)c2c(F)c(F)c(F)c(N)c2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.52
HTT P42858 3/20 0.51
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
ADRB2 P07550 1/20 0.33
GAA P10253 1/20 0.32
PIM1 P11309 1/20 0.32
IRAK1 P51617 1/20 0.32
CAMK2B Q13554 1/20 0.32
CAMK2G Q13555 1/20 0.32
CAMK2D Q13557 1/20 0.32
PIM3 Q86V86 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL7008549 0.93 STAT3 (0.61) STAT3HTTKMT2ATSHRCASP1
SCHEMBL7010638 0.83 HTT (0.47) STAT3HTTKMT2ATSHRALDH1A1
SCHEMBL7003690 0.80 STAT3 (0.51) STAT3HTTKMT2AALDH1A1KDM4E
SCHEMBL6578748 0.79 STAT3 (0.49) STAT3HTTKMT2ATSHRCASP1
SCHEMBL7857503 0.77 STAT3 (0.56) STAT3HTTKMT2ATSHRCASP1
SCHEMBL7004404 0.76 STAT3 (0.43) STAT3HTTKMT2AALDH1A1KDM4E
SCHEMBL6580697 0.76 STAT3 (0.52) STAT3HTTKMT2AALDH1A1KDM4E
SCHEMBL7010662 0.75 HTT (0.69) STAT3HTTKMT2ATSHRCASP1
SCHEMBL6578865 0.74 STAT3 (0.50) STAT3HTTKMT2AALDH1A1KDM4E
SCHEMBL7007984 0.74 STAT3 (0.50) STAT3HTTKMT2AALDH1A1KDM4E

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-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
EP-0787720-A1 NOVEL PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-06 EP disclosed