SCHEMBL6604698

SCHEMBL6604698

CCN(CC)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
PAX8 Q06710 3/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 6/20 0.54
ALDH1A1 P00352 4/20 0.54
MITF O75030 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 4/20 0.53
MCHR1 Q99705 1/20 0.53
HTT P42858 3/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
STING1 Q86WV6 1/20 0.51
JAK2 O60674 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL6604033 0.94 KMT2A (0.55) KMT2AMEN1PAX8POLBMAPT
SCHEMBL6603827 0.90 MEN1 (0.58) KMT2AMEN1PAX8POLBMAPT
SCHEMBL6604028 0.88 MCHR1 (0.57) KMT2AMEN1PAX8POLBMAPT
SCHEMBL6927024 0.82 MCHR1 (0.66) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6608917 0.79 TSHR (0.60) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL6924093 0.77 MCHR1 (0.76) KMT2AMEN1MAPTALDH1A1MCHR1
SCHEMBL6926140 0.76 MCHR1 (0.72) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL7913510 0.76 MCHR1 (0.66) MCHR1HTT
SCHEMBL6927928 0.76 MCHR1 (0.71) MCHR1
SCHEMBL6925370 0.75 MCHR1 (0.71) MAPTALDH1A1MCHR1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed