SCHEMBL7010035

SCHEMBL7010035

Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)cc32)c(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 4/20 0.47
TOP1 P11387 4/20 0.46
DRD3 P35462 1/20 0.42
TOP2A P11388 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TOP2B Q02880 1/20 0.42
BRD4 O60885 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
CYP2J2 P51589 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 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
SCHEMBL7010923 0.90 LMNA (0.44) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7012178 0.89 TOP1 (0.43) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7009784 0.87 MEN1 (0.57) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7008317 0.86 TOP1 (0.45) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7010639 0.86 TOP1 (0.45) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7013177 0.85 LMNA (0.50) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8483582 0.85 ALDH1A1 (0.69) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7012361 0.84 TOP1 (0.45) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7012363 0.84 LMNA (0.42) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL14860174 0.84 TOP1 (0.55) LMNAMEN1KMT2AALDH1A1KDM4E

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