SCHEMBL7354885

SCHEMBL7354885

O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCP(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
PKM P14618 1/20 0.58
GAA P10253 3/20 0.57
MAPT P10636 9/20 0.57
HTT P42858 3/20 0.57
SERPINE1 P05121 1/20 0.56
LMNA P02545 2/20 0.56
THRB P10828 1/20 0.56
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.55
STAT3 P40763 1/20 0.54
KCNMA1 Q12791 1/20 0.53
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL7353123 0.84 KMT2A (0.61) KMT2AMEN1PKMGAAMAPT
SCHEMBL7349273 0.82 KCNMA1 (0.50) KMT2AMEN1PKMMAPTHTT
SCHEMBL116088 0.81 GAA (0.70) KMT2AMEN1PKMGAAMAPT
SCHEMBL112411 0.81 GAA (0.67) KMT2AMEN1PKMGAAMAPT
SCHEMBL29392652 0.81 GAA (0.67) KMT2AMEN1PKMGAAMAPT
SCHEMBL7361776 0.80 MAPT (0.50) KMT2AMEN1PKMGAAMAPT
SCHEMBL7261922 0.80 GAA (0.66) KMT2AMEN1PKMGAAMAPT
SCHEMBL29653763 0.80 GAA (0.66) KMT2AMEN1PKMGAAMAPT
SCHEMBL5113527 0.80 KMT2A (0.70) KMT2AMEN1PKMGAAMAPT
SCHEMBL5113536 0.80 KMT2A (0.70) KMT2AMEN1PKMGAAMAPT

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
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
CN-1038840-C para-dinitrogen naphthalene derivative, its preparation method and its medical use SCHERING AG (DE) 1998-06-24 CN disclosed
CN-1072929-A Para-dinitronaphthalene derivative, preparation method and medical application thereof SCHERING AG (DE) 1993-06-09 CN disclosed
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed