SCHEMBL7009210

SCHEMBL7009210

O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
MGLL Q99685 3/20 0.46
MAOB P27338 1/20 0.46
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
PTGES O14684 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MITF O75030 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL28067912 0.88 KMT2A (0.53) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL28359300 0.87 NPC1 (0.47) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL8346676 0.85 RAB9A (0.50) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL29463677 0.83 LMNA (0.65) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL18812865 0.83 LMNA (0.65) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL17653813 0.83 MGLL (0.54) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL6672269 0.82 RAB9A (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7013091 0.81 ALDH1A1 (0.51) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL3986319 0.80 NPC1 (0.55) NPC1RAB9AALDH1A1POLBMGLL
SCHEMBL1972473 0.79 ALDH1A1 (0.49) RAB9AMEN1KMT2ALMNAALDH1A1

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 5 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-5994575-A Phenylenediamines and process for preparing the same WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US 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-0897909-A1 NOVEL PHENYLENEDIAMINES AND PROCESS FOR PREPARING THE SAME WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-02-24 EP 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