SCHEMBL7012178

SCHEMBL7012178

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
CAPN1 P07384 1/20 0.40
PIM1 P11309 1/20 0.40
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 2/20 0.39
DRD3 P35462 1/20 0.38
TOP2A P11388 4/20 0.38
CYP1A2 P05177 1/20 0.38
TOP2B Q02880 1/20 0.38
BRD4 O60885 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CYP2J2 P51589 1/20 0.38

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
SCHEMBL7004281 0.94 TOP1 (0.45) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL7010035 0.89 LMNA (0.47) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL7010571 0.86 TOP1 (0.49) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL8481317 0.85 ALDH1A1 (0.65) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL7008142 0.84 KMT2A (0.53) LMNAKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL7010639 0.83 TOP1 (0.45) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL7003701 0.83 EPHA2 (0.44) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL7005195 0.83 TOP1 (0.53) TOP1ALDH1A1KDM4EPIM1CYP2C9
SCHEMBL8484204 0.82 TOP1 (0.58) TOP1LMNAMEN1KMT2AALDH1A1
SCHEMBL7007766 0.82 TOP1 (0.58) 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