SCHEMBL6958801

SCHEMBL6958801

CC(=O)c1ccc(OCc2ccccn2)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.71
AURKB Q96GD4 3/20 0.71
INCENP Q9NQS7 3/20 0.71
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PARP10 Q53GL7 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.48
BRD4 O60885 1/20 0.47

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
SCHEMBL12111182 0.86 SYK (0.54) SYKAURKBINCENPPARP10MRGPRX4
SCHEMBL12162576 0.85 SYK (0.70) SYKAURKBINCENPMEN1KMT2A
SCHEMBL29783148 0.80 FFAR4 (0.62) ALDH1A1MRGPRX4
SCHEMBL385027 0.80 FFAR4 (0.62) ALDH1A1MRGPRX4
SCHEMBL2760114 0.80 SYK (0.61) SYKAURKBINCENPKMT2AMRGPRX4
SCHEMBL2089763 0.79 PARP10 (0.73) SYKAURKBINCENPPARP10ALDH1A1
SCHEMBL6955580 0.78 ALDH1A1 (0.61) MEN1KMT2AALDH1A1
SCHEMBL8877377 0.78 SYK (0.61) SYKAURKBINCENPPARP10ALDH1A1
SCHEMBL13002435 0.78 SMN1; SMN2 (0.50) SYKAURKBINCENPMEN1KMT2A
SCHEMBL8625407 0.77 SYK (0.55) SYKAURKBINCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed