SCHEMBL7955855

SCHEMBL7955855

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.55
MAPT P10636 8/20 0.54
ALDH1A1 P00352 1/20 0.54
KCNMA1 Q12791 1/20 0.53
PKM P14618 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.51
THRB P10828 1/20 0.50
AKR1B1 P15121 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
POLB P06746 1/20 0.49
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.48
EPAS1 Q99814 1/20 0.48

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
SCHEMBL116538 0.84 MAPK1 (0.62) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL7188544 0.81 MAPK1 (0.55) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL7350226 0.79 MAPT (0.65) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL7354885 0.78 KMT2A (0.58) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL5052131 0.78 MAPK1 (0.55) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL4490148 0.78 MAPK1 (0.61) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL116971 0.78 MAPK1 (0.65) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL28300949 0.78 MAPK1 (0.61) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL7955876 0.77 ALDH1A1 (0.48) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL7355650 0.77 MAPT (0.62) MAPK1MAPTALDH1A1KCNMA1PKM

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 2 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
CN-1038840-C para-dinitrogen naphthalene derivative, its preparation method and its medical use SCHERING AG (DE) 1998-06-24 CN disclosed