SCHEMBL668093

SCHEMBL668093

O=[N+]([O-])c1cc2c(cc1CCO)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
POLB P06746 1/20 0.56
MCL1 Q07820 1/20 0.56
ALDH1A1 P00352 6/20 0.52
TDP1 Q9NUW8 2/20 0.52
SRC P12931 1/20 0.50
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
MET P08581 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL15265215 0.90 MAPT (0.53) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL669313 0.86 MAPT (0.59) MAPTMEN1KMT2AL3MBTL1POLB
Methane SCHEMBL9392239 0.85 MAPT (0.57) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL10858330 0.83 MAPT (0.56) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL126110 0.81 MAPT (0.61) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL15264825 0.81 MEN1 (0.53) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL29042545 0.80 MEN1 (0.56) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL718255 0.80 MAPT (0.74) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL5964901 0.79 MAPT (0.59) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL11691634 0.79 MAPT (0.64) MAPTMEN1KMT2AL3MBTL1POLB

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-2012024558-A2 LIGHT MEDIATED REGULATION OF PROTEIN DIMERIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-02-23 WO disclosed