SCHEMBL6578748

SCHEMBL6578748

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.49
HTT P42858 2/20 0.48
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 6/20 0.37
HSD17B10 Q99714 5/20 0.37
HPGD P15428 5/20 0.37
CYP1A2 P05177 2/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.36
CASP1 P29466 2/20 0.36
GAA P10253 2/20 0.35
GLA P06280 1/20 0.34
ADRB2 P07550 1/20 0.33
PKM P14618 1/20 0.33
PIM1 P11309 1/20 0.33
IRAK1 P51617 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 1/20 0.33
CAMK2D Q13557 1/20 0.33
PIM3 Q86V86 1/20 0.33

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
SCHEMBL6581471 0.86 TOP2A (0.42) STAT3HTTALDH1A1KDM4EPIM1
SCHEMBL7008763 0.86 STAT3 (0.47) STAT3HTTALDH1A1KDM4EHSD17B10
SCHEMBL7007194 0.85 STAT3 (0.54) STAT3HTTALDH1A1KDM4EHSD17B10
SCHEMBL20912569 0.84 STAT3 (0.47) STAT3HTTALDH1A1KDM4EHSD17B10
SCHEMBL7005444 0.82 STAT3 (0.61) STAT3HTTALDH1A1KDM4EHSD17B10
SCHEMBL19728864 0.81 STAT3 (0.45) STAT3HTTALDH1A1KDM4EHSD17B10
SCHEMBL19728813 0.81 STAT3 (0.45) STAT3HTTALDH1A1KDM4EHSD17B10
SCHEMBL19728865 0.81 STAT3 (0.45) STAT3HTTALDH1A1KDM4EHSD17B10
SCHEMBL6576283 0.80 TOP1 (0.43) STAT3HTTALDH1A1KDM4EKMT2A
SCHEMBL7003480 0.79 STAT3 (0.52) STAT3HTTALDH1A1KDM4EHSD17B10

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-0897919-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-6211375-B1 IMPROVED INTESTINAL ABSORPTION WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0897919-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-02-24 EP disclosed