SCHEMBL6823725

SCHEMBL6823725

CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1NNc1ccc([N+](=O)[O-])cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 5/20 0.43
LMNA P02545 3/20 0.43
CYP19A1 P11511 5/20 0.42
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
GLA P06280 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MLNR O43193 1/20 0.40
MMP1 P03956 1/20 0.40
MPO P05164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6823093 0.87 KMT2A (0.56) HTTPKMKMT2ALMNAALDH1A1
SCHEMBL9687587 0.85 HTT (0.46) HTTPKMKMT2ALMNACYP19A1
SCHEMBL6825987 0.82 HTT (0.59) HTTPKMKMT2ALMNAALDH1A1
SCHEMBL62955 0.82 ALDH1A1 (0.50) HTTKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL6823722 0.82 HTT (0.59) HTTPKMKMT2ALMNAALDH1A1
SCHEMBL2076302 0.81 HTT (0.54) HTTPKMKMT2ALMNACYP19A1
SCHEMBL1157615 0.81 HTT (0.54) HTTPKMKMT2ALMNACYP19A1
SCHEMBL61078 0.79 ALDH1A1 (0.51) HTTKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL5604430 0.79 ALDH1A1 (0.61) HTTKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL7544605 0.79 ALDH1A1 (0.61) HTTKMT2ALMNAALDH1A1SMN1; SMN2

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
EP-1194143-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-1194143-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-10 EP disclosed
WO-2000076457-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0907362-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-12-01 EP disclosed
EP-0907362-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-14 EP disclosed
WO-1997049399-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed