SCHEMBL6603827

SCHEMBL6603827

COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1OCCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
PAX8 Q06710 2/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
MITF O75030 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
LMNA P02545 3/20 0.55
KDM4E B2RXH2 2/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
MCHR1 Q99705 1/20 0.52
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
JAK2 O60674 1/20 0.51
STING1 Q86WV6 1/20 0.50

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
SCHEMBL6604698 0.90 KMT2A (0.56) MEN1KMT2APAX8POLBMAPT
SCHEMBL6604033 0.90 KMT2A (0.55) MEN1KMT2APAX8POLBMAPT
SCHEMBL6604028 0.90 MCHR1 (0.57) MEN1KMT2APAX8POLBMAPT
SCHEMBL6928643 0.81 MCHR1 (0.65) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6602432 0.79 TSHR (0.63) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL25005573 0.76 STING1 (0.62) MEN1KMT2APAX8POLBMAPT
SCHEMBL6927364 0.75 MCHR1 (0.70) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL6427130 0.74 MEN1 (1.00) MEN1KMT2APAX8POLBMAPT
SCHEMBL6427707 0.73 LMNA (0.64) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL6427480 0.73 MEN1 (0.75) MEN1KMT2APAX8POLBMAPT

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