SCHEMBL7144898

SCHEMBL7144898

COc1cc(OC)c(-c2ccc(N)cc2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 4/20 0.50
CYP19A1 P11511 5/20 0.49
APP P05067 3/20 0.47
NQO2 P16083 1/20 0.47
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL28603353 0.85 CA12 (0.54) MAPK1ALDH1A1CYP3A4APPHSD17B10
SCHEMBL1047654 0.82 ACHE (0.50) ALDH1A1CYP3A4SMN1; SMN2MAPTNPC1
SCHEMBL21167030 0.81 CYP2D6 (0.47) ALDH1A1CYP3A4HPGDRAB9ALMNA
SCHEMBL5541288 0.80 CYP1A2 (0.44) ALDH1A1CYP3A4SMN1; SMN2MAPTLMNA
SCHEMBL12549065 0.80 ABL1 (0.62) MAPK1APPNQO2SMN1; SMN2MAPT
SCHEMBL17924581 0.79 SMN1; SMN2 (0.54) MAPK1ALDH1A1CYP3A4HSD17B10SMN1; SMN2
SCHEMBL21166976 0.77 ALDH1A1 (0.42) TDP1MAPK1ALDH1A1CYP3A4HSD17B10
SCHEMBL7143439 0.77 CYP3A4 (0.62) TDP1MAPK1ALDH1A1CYP3A4CYP19A1
SCHEMBL25301954 0.76 CHEK1 (0.44) TDP1MAPK1ALDH1A1CYP3A4CYP19A1
SCHEMBL30505317 0.76 CYP1A2 (0.55) MAPK1ALDH1A1CYP3A4HSD17B10SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789577-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2003-03-12 EP disclosed
EP-0671928-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2002-11-27 EP disclosed
EP-1258492-A1 N-substituted oligomers and methods for their synthesis, e.g. polyglycine bearing nucleic acid bases CHIRON CORPORATION (US) 2002-11-20 EP disclosed
US-5977301-A AUTOMATED AND EFFICIENT SYNTHESIS BY REACTING SOLID SUPPORT BOUND AMINE WITH AN ACYLATING SUBMONOMER TO PRODUCE A SOLID SUPPORT-BOUND AMIDE WHICH CAN BE FURTHER REACTED; ONLY REACTIVE SIDE CHAINS NEED PROTECTED CHIRON CORPORATION (US) 1999-11-02 US disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US disclosed
US-5831005-A ACYLATION, NUCLEOPHILIC DISPLACEMENT CYCLES CHIRON CORPORATION (US) 1998-11-03 US disclosed
EP-0789577-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 1998-07-22 EP disclosed
EP-0789577-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1997-08-20 EP disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 WO disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed