SCHEMBL10484173

SCHEMBL10484173

CC1OC(c2ccccc2)OC(C)C1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 1/20 0.41
KCNA1 Q09470 1/20 0.41
KCNAB1 Q14722 1/20 0.41
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
EPHX1 P07099 1/20 0.31
POLB P06746 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL10484170 1.00 KCNA4 (0.41) KCNA4KCNA1KCNAB1KMT2AMEN1
SCHEMBL15436882 0.78 MEN1 (0.48) KMT2AMEN1CYP2C19LMNAEPHX1
SCHEMBL3092749 0.78 MEN1 (0.48) KMT2AMEN1CYP2C19LMNAEPHX1
SCHEMBL3092739 0.78 MEN1 (0.48) KMT2AMEN1CYP2C19LMNAEPHX1
SCHEMBL1245102 0.78 MEN1 (0.48) KMT2AMEN1CYP2C19LMNAEPHX1
SCHEMBL15436881 0.78 MEN1 (0.48) KMT2AMEN1CYP2C19LMNAEPHX1
SCHEMBL877724 0.78 MEN1 (0.48) KMT2AMEN1CYP2C19LMNAEPHX1
SCHEMBL16796701 0.74 DNMT3B (0.40) KCNA4KCNA1KCNAB1KMT2AMEN1
SCHEMBL13356510 0.69 MEN1 (0.48) KMT2AMEN1CYP2C19LMNAEPHX1
SCHEMBL7145034 0.67 KCNA4 (0.40) KCNA4KCNA1KCNAB1KMT2AMEN1

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-4829090-A SECONDARY AMINES, ANTITUMOR BURROUGHS WELLCOME CO. (US) 1989-05-09 US disclosed
US-4810727-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1989-03-07 US disclosed
US-4719048-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1988-01-12 US disclosed
US-4719046-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1988-01-12 US disclosed
EP-0125702-B1 POLYCYCLIC AROMATIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1987-08-12 EP disclosed
EP-0125702-A2 Polycyclic aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1984-11-21 EP disclosed