SCHEMBL7356554

SCHEMBL7356554

CCCCCC(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PKM P14618 2/20 0.48
MAPK1 P28482 4/20 0.47
THRB P10828 1/20 0.47
POLB P06746 1/20 0.46
HTT P42858 3/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 2/20 0.45
KCNMA1 Q12791 1/20 0.44
STAT3 P40763 1/20 0.43

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
SCHEMBL9542786 0.86 MAPT (0.45) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL7358391 0.82 PLK1 (0.40) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL7350226 0.79 MAPT (0.65) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL7358247 0.79 MAPT (0.61) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL7355650 0.78 MAPT (0.62) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL18891153 0.74 KMT2A (0.53) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL18891024 0.74 KMT2A (0.53) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL116464 0.74 MAPT (0.64) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL7183888 0.74 MAPT (0.72) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL7354885 0.74 KMT2A (0.58) 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 4 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