SCHEMBL4448251

SCHEMBL4448251

Nc1ccc(OC(F)(F)F)cc1N.Nc1ccc(OC(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
POLB P06746 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
PKM P14618 1/20 0.40
NR4A1 P22736 1/20 0.39

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
SCHEMBL203169 0.95 MAPT (0.53) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL14322739 0.86 MAPT (0.58) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9527232 0.83 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL5090260 0.82 NR4A1 (0.61) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9530670 0.82 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL442684 0.82 NR4A1 (0.56) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL29546263 0.82 NR4A1 (0.56) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL2382375 0.80 TDP1 (0.59) MAPTALDH1A1MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL9526864 0.80 NR4A1 (0.54) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL23651401 0.78 MAPT (0.52) MAPTALDH1A1MEN1KMT2ATDP1

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
EP-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed