SCHEMBL6636721

SCHEMBL6636721

O=C[C@H]1CCCN1c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
USP2 O75604 3/20 0.60
POLB P06746 2/20 0.60
TNNI3 P19429 1/20 0.60
TNNT2 P45379 1/20 0.60
TNNC1 P63316 1/20 0.60
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
RECQL P46063 2/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
S100A4 P26447 1/20 0.53
GSTP1 P09211 8/20 0.47
GSTM2 P28161 8/20 0.47
HRH3 Q9Y5N1 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL3040278 0.84 MEN1 (0.61) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL6636717 0.82 MEN1 (0.58) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL9285207 0.82 MEN1 (0.62) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL9282535 0.81 MEN1 (0.60) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL9282541 0.81 MEN1 (0.60) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL29443251 0.81 MEN1 (0.60) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3500025 0.76 MEN1 (0.97) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3505138 0.75 MEN1 (1.00) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL12849477 0.73 MEN1 (0.67) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL12383575 0.72 MEN1 (0.49) MEN1KMT2AUSP2POLBTNNI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP claimed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 US claimed
EP-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 EP claimed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO claimed
EP-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 US disclosed
EP-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 EP disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO disclosed