SCHEMBL7358247

SCHEMBL7358247

CC(CP(=O)(O)O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.61
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 4/20 0.55
GAA P10253 2/20 0.49
THRB P10828 1/20 0.48
KCNMA1 Q12791 1/20 0.48
POLB P06746 1/20 0.47
HCAR3 P49019 1/20 0.47
HTT P42858 2/20 0.47
STAT3 P40763 1/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7350226 0.86 MAPT (0.65) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL7455626 0.85 MAPT (0.66) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL7355650 0.84 MAPT (0.62) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL116464 0.84 MAPT (0.64) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL7353123 0.81 KMT2A (0.61) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL124856 0.81 MAPT (0.70) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL115470 0.81 MAPT (0.70) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL7353369 0.80 ALDH1A1 (0.43) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL7182910 0.79 MAPT (0.61) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL7356554 0.79 MAPT (0.55) MAPTALDH1A1KMT2AMEN1PKM

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