SCHEMBL6921922

SCHEMBL6921922

C[SiH](C)Oc1c([N+](=O)[O-])ccc(N=C=O)c1C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL27369615 0.74 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL8517093 0.73 TXNRD1 (0.34) ALDH1A1TDP1
SCHEMBL5367353 0.66 ALDH1A1 (0.38) ALDH1A1CYP3A4TDP1
SCHEMBL28258602 0.63 CYP3A4 (0.59) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL7416771 0.63 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3839311 0.62 CYP3A4 (0.56) ALDH1A1CYP3A4
SCHEMBL3843245 0.62 TSHR (0.56) ALDH1A1CYP3A4TDP1
SCHEMBL4038529 0.62 TDP1 (0.52) ALDH1A1CYP3A4TDP1
SCHEMBL31152344 0.62 ALDH1A1 (0.51) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL3836840 0.62 ALDH1A1 (0.51) ALDH1A1CYP3A4HPGDTDP1

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
US-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 US disclosed
WO-2000076457-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed