SCHEMBL7010639

SCHEMBL7010639

Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)cc32)c(F)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.45
LMNA P02545 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 5/20 0.43
HPGD P15428 4/20 0.43
HTT P42858 2/20 0.42
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
DRD3 P35462 1/20 0.39
STAT3 P40763 1/20 0.39
TOP2A P11388 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TOP2B Q02880 1/20 0.39
BRD4 O60885 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7010035 0.86 LMNA (0.47) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL7007733 0.83 KMT2A (0.55) LMNAKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL7012178 0.83 TOP1 (0.43) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL7007518 0.82 ALDH1A1 (0.49) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL7006703 0.82 TOP1 (0.58) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL7005578 0.81 TOP1 (0.49) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL7010330 0.81 TOP1 (0.52) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL7008236 0.80 TOP1 (0.48) TOP1ALDH1A1KDM4EHTTPOLB
SCHEMBL7014638 0.80 EPHA2 (0.44) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL14860174 0.80 TOP1 (0.55) TOP1LMNAMEN1KMT2AALDH1A1

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