SCHEMBL7861781

SCHEMBL7861781

CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC[C@H]1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
LMNA P02545 2/20 0.44
ATM Q13315 1/20 0.42
KMT2A Q03164 4/20 0.40
MAPK1 P28482 2/20 0.40
PPIA P62937 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KCNMA1 Q12791 1/20 0.39
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AXL P30530 1/20 0.38

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
SCHEMBL8204299 1.00 CYP19A1 (0.47) CYP19A1LMNAATMKMT2AMAPK1
SCHEMBL7864067 0.83 CXCR1 (0.52) CYP19A1LMNAKMT2AMAPK1PPIA
SCHEMBL7864070 0.83 CXCR1 (0.52) CYP19A1LMNAKMT2AMAPK1PPIA
SCHEMBL7859409 0.81 CXCR1 (0.52) CYP19A1LMNAKMT2AMAPK1PPIA
SCHEMBL6823093 0.77 KMT2A (0.56) LMNAATMKMT2AMAPK1MEN1
SCHEMBL7864021 0.73 MAPK1 (0.39) KMT2AMAPK1MAPTALDH1A1GAA
SCHEMBL3103839 0.72 NPC1 (0.56) KMT2AMEN1MAPTGAAAXL
SCHEMBL13156495 0.72 NPC1 (0.56) KMT2AMEN1MAPTGAAAXL
SCHEMBL13156526 0.72 MERTK (0.51) AXLMERTK
SCHEMBL3096606 0.72 MERTK (0.51) AXLMERTK

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-0912505-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-24 EP disclosed
US-6133319-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-17 US disclosed
EP-0912505-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-06 EP disclosed
WO-1997049680-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed