SCHEMBL7007313

SCHEMBL7007313

CCOC(=O)c1cn(-c2cc(NC(=O)OCc3ccccc3)c(F)cc2F)c2nc(Cl)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
PIM1 P11309 1/20 0.42
IRAK1 P51617 1/20 0.42
CAMK2B Q13554 1/20 0.42
CAMK2G Q13555 1/20 0.42
CAMK2D Q13557 1/20 0.42
PIM3 Q86V86 1/20 0.42
MAPT P10636 2/20 0.41
THRB P10828 2/20 0.41

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
SCHEMBL7008093 0.85 STAT3 (0.48) TSHRMAPK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL7004207 0.85 STAT3 (0.43) TSHRMAPK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL7007549 0.81 ALDH1A1 (0.42) ALDH1A1NPC1LMNAKMT2AKDM4E
SCHEMBL7579922 0.80 MAPT (0.51) TSHRMAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL18312882 0.80 ALDH1A1 (0.50) TSHRMAPK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL7005460 0.80 PIM1 (0.41) TSHRMAPK1NPC1RAB9AHTT
SCHEMBL7012730 0.78 HTT (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7005366 0.78 HTT (0.40) ALDH1A1NPC1RAB9ALMNAHTT
SCHEMBL7005450 0.77 STAT3 (0.48) TSHRMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL18312907 0.77 MAPT (0.47) TSHRALDH1A1SMN1; SMN2NPC1RAB9A

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