SCHEMBL5820109

SCHEMBL5820109

O=C1CCCN(c2ccc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.71
KMT2A Q03164 2/20 0.71
LMNA P02545 4/20 0.54
MAPT P10636 5/20 0.49
THRB P10828 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC6A9 P48067 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 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
SCHEMBL4921368 0.84 ALDH1A1 (0.75) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL3042630 0.83 ALDH1A1 (1.00) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL29744710 0.83 ALDH1A1 (1.00) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL85672 0.83 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL30928952 0.83 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL1127011 0.83 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL14464189 0.81 ALDH1A1 (0.79) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL5697459 0.79 ALDH1A1 (0.68) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL18396735 0.78 ALDH1A1 (0.66) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL78723 0.78 ALDH1A1 (0.62) ALDH1A1KMT2ALMNAMAPTTHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006135383-A2 INDAZOLES MYRIAD GENETICS, INC. (US) 2006-12-21 WO disclosed