SCHEMBL7350226

SCHEMBL7350226

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
ALDH1A1 P00352 1/20 0.65
MAPK1 P28482 5/20 0.58
KMT2A Q03164 3/20 0.56
PKM P14618 2/20 0.56
MEN1 O00255 2/20 0.56
KCNMA1 Q12791 1/20 0.51
GAA P10253 2/20 0.49
THRB P10828 1/20 0.48
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 2/20 0.47
STAT3 P40763 1/20 0.47
LMNA P02545 2/20 0.46
EPAS1 Q99814 1/20 0.46

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
SCHEMBL7355650 0.88 MAPT (0.62) MAPTALDH1A1MAPK1KMT2APKM
SCHEMBL7358247 0.86 MAPT (0.61) MAPTALDH1A1MAPK1KMT2APKM
SCHEMBL124856 0.84 MAPT (0.70) MAPTALDH1A1MAPK1KMT2APKM
SCHEMBL115470 0.84 MAPT (0.70) MAPTALDH1A1MAPK1KMT2APKM
SCHEMBL7348011 0.83 KCNMA1 (0.48) MAPTALDH1A1MAPK1KCNMA1EPAS1
SCHEMBL5461147 0.82 MAPT (0.67) MAPTALDH1A1MAPK1KMT2APKM
SCHEMBL7353123 0.81 KMT2A (0.61) MAPTALDH1A1MAPK1KMT2APKM
SCHEMBL7350188 0.81 MAPT (0.58) MAPTALDH1A1MAPK1KMT2APKM
SCHEMBL7353219 0.81 KCNMA1 (0.49) MAPTALDH1A1MAPK1KMT2AKCNMA1
SCHEMBL7355304 0.81 CRHBP (0.59) MAPTALDH1A1MAPK1KMT2AMEN1

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 6 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
EP-0565683-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-10-20 EP 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