SCHEMBL7005366

SCHEMBL7005366

CCOC(=O)c1cn(-c2cc(NC(=O)OCc3ccccc3)c(F)cc2F)c2c(Cl)c(F)c(F)c([N+](=O)[O-])c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
STAT3 P40763 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
PIM1 P11309 1/20 0.34
IRAK1 P51617 1/20 0.34
CAMK2B Q13554 1/20 0.34
CAMK2G Q13555 1/20 0.34
CAMK2D Q13557 1/20 0.34
PIM3 Q86V86 1/20 0.34
COMT P21964 1/20 0.34
MGAT2 Q10469 1/20 0.34
KDR P35968 1/20 0.34
GNRHR P30968 8/20 0.34
POLB P06746 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
SCHEMBL7004207 0.82 STAT3 (0.43) HTTALDH1A1LMNAMAPTSTAT3
SCHEMBL7008093 0.82 STAT3 (0.48) HTTALDH1A1LMNAMAPTSTAT3
SCHEMBL7005460 0.81 PIM1 (0.41) HTTSTAT3NPC1RAB9APIM1
SCHEMBL7012730 0.81 HTT (0.47) HTTSTAT3NPC1RAB9APIM1
SCHEMBL6578653 0.80 HTT (0.41) HTTALDH1A1LMNAMAPTSTAT3
SCHEMBL7007313 0.78 TSHR (0.47) HTTALDH1A1LMNAMAPTSTAT3
SCHEMBL7005450 0.77 STAT3 (0.48) HTTSTAT3NPC1RAB9APIM1
SCHEMBL8803223 0.77 HTT (0.38) HTTALDH1A1LMNAMAPTSTAT3
SCHEMBL7004413 0.76 STAT3 (0.41) HTTALDH1A1LMNAMAPTSTAT3
SCHEMBL7010692 0.76 PIM1 (0.40) HTTSTAT3PIM1IRAK1CAMK2B

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