SCHEMBL7009977

SCHEMBL7009977

CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cc(N)c(F)cc2F)CC1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 5/20 0.46
HPGD P15428 5/20 0.46
DRD3 P35462 1/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.43
TOP2A P11388 1/20 0.43
CYP2C9 P11712 1/20 0.43
TOP2B Q02880 1/20 0.43
BRD4 O60885 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
CYP2J2 P51589 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.41
TOP1 P11387 5/20 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
SCHEMBL7009970 1.00 LMNA (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7009980 1.00 LMNA (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7004991 0.91 LMNA (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7009468 0.91 LMNA (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7004985 0.91 LMNA (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7004999 0.91 LMNA (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8484857 0.88 LMNA (0.49) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7013177 0.87 LMNA (0.50) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7009784 0.83 MEN1 (0.57) LMNAMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8482407 0.83 TOP1 (0.57) 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